7-chloranyl-4-(phenylmethylsulfanyl)-2,3-dihydro-1,5-benzothiazepine

Systemtic Name: 7-chloranyl-4-(phenylmethylsulfanyl)-2,3-dihydro-1,5-benzothiazepine Openeye Name: 4-benzylsulfanyl-7-chloro-2,3-dihydro-1,5-benzothiazepine CAS Name: 7-chloro-4-(phenylmethylthio)-2,3-dihydro-1,5-benzothiazepine IUPAC Name: 4-benzylsulfanyl-7-chloro-2,3-dihydro-1,5-benzothiazepine Traditional Name: 4-(benzylthio)-7-chloro-2,3-dihydro-1,5-benzothiazepine Formula: C16H14ClNS2 MolecularWeight: 319.87206

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)Cl)N=C1SCC3=CC=CC=C3

Isomeric SMILES

C1CSC2=C(C=C(C=C2)Cl)N=C1SCC3=CC=CC=C3

InChI

InChI=1S/C16H14ClNS2/c17-13-6-7-15-14(10-13)18-16(8-9-19-15)20-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2