7-chloranyl-4-[(3-methylphenyl)methylsulfanyl]-2,3-dihydro-1,5-benzothiazepine

Systemtic Name: 7-chloranyl-4-[(3-methylphenyl)methylsulfanyl]-2,3-dihydro-1,5-benzothiazepine Openeye Name: 7-chloro-4-(m-tolylmethylsulfanyl)-2,3-dihydro-1,5-benzothiazepine CAS Name: 7-chloro-4-[(3-methylphenyl)methylthio]-2,3-dihydro-1,5-benzothiazepine IUPAC Name: 7-chloro-4-[(3-methylphenyl)methylsulfanyl]-2,3-dihydro-1,5-benzothiazepine Traditional Name: 7-chloro-4-[(3-methylbenzyl)thio]-2,3-dihydro-1,5-benzothiazepine Formula: C17H16ClNS2 MolecularWeight: 333.89864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC3=C(C=CC(=C3)Cl)SCC2

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC3=C(C=CC(=C3)Cl)SCC2

InChI

InChI=1S/C17H16ClNS2/c1-12-3-2-4-13(9-12)11-21-17-7-8-20-16-6-5-14(18)10-15(16)19-17/h2-6,9-10H,7-8,11H2,1H3