2-[3-[[4-methyl-5-(2-methyl-1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile

Systemtic Name: 2-[3-[[4-methyl-5-(2-methyl-1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile Openeye Name: 2-[3-[[4-methyl-5-(2-methyloxazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile CAS Name: 2-[3-[[4-methyl-5-(2-methyl-4-oxazolyl)-1,2,4-triazol-3-yl]thio]propyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile IUPAC Name: 2-[3-[[4-methyl-5-(2-methyl-1,3-oxazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile Traditional Name: 2-[3-[[4-methyl-5-(2-methyloxazol-4-yl)-1,2,4-triazol-3-yl]thio]propyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CO1)C2=NN=C(N2C)SCCCN3CCC4=C(C3)C=C(C=C4)C#N

Isomeric SMILES

CC1=NC(=CO1)C2=NN=C(N2C)SCCCN3CCC4=C(C3)C=C(C=C4)C#N

InChI

InChI=1S/C20H22N6OS/c1-14-22-18(13-27-14)19-23-24-20(25(19)2)28-9-3-7-26-8-6-16-5-4-15(11-21)10-17(16)12-26/h4-5,10,13H,3,6-9,12H2,1-2H3