3-[3-[3-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-5-methyl-1,2-oxazole hydrochloride

Systemtic Name: 3-[3-[3-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-5-methyl-1,2-oxazole hydrochloride Openeye Name: 3-[3-[3-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-5-methyl-isoxazole hydrochloride CAS Name: 3-[3-[3-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-5-methylisoxazole hydrochloride IUPAC Name: 3-[3-[3-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-5-methyl-1,2-oxazole hydrochloride Traditional Name: 3-[3-[3-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-5-methyl-isoxazole hydrochloride Formula: C27H32ClN5O2S MolecularWeight: 526.09328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C2=CC3=C(CCN(CC3)CCCSC4=NN=C(N4C)C5=CC=CC=C5OC)C=C2.Cl

Isomeric SMILES

CC1=CC(=NO1)C2=CC3=C(CCN(CC3)CCCSC4=NN=C(N4C)C5=CC=CC=C5OC)C=C2.Cl

InChI

InChI=1S/C27H31N5O2S.ClH/c1-19-17-24(30-34-19)22-10-9-20-11-14-32(15-12-21(20)18-22)13-6-16-35-27-29-28-26(31(27)2)23-7-4-5-8-25(23)33-3;/h4-5,7-10,17-18H,6,11-16H2,1-3H3;1H