[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone

Systemtic Name: [5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Openeye Name: (1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone CAS Name: [5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone IUPAC Name: (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Traditional Name: (1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Formula: C21H20ClN3OS MolecularWeight: 397.921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CCCSC3=CC=CC=C32)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CCCSC3=CC=CC=C32)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H20ClN3OS/c1-15-19(20(22)25(23-15)14-16-8-3-2-4-9-16)21(26)24-12-7-13-27-18-11-6-5-10-17(18)24/h2-6,8-11H,7,12-14H2,1H3