butanedioic acid; 7-chloranyl-6-(phenylsulfanylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine

Systemtic Name: butanedioic acid; 7-chloranyl-6-(phenylsulfanylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine Openeye Name: 7-chloro-6-(phenylsulfanylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine; succinic acid CAS Name: butanedioic acid; 7-chloro-6-[(phenylthio)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepine IUPAC Name: butanedioic acid; 7-chloro-6-(phenylsulfanylmethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine Traditional Name: 7-chloro-6-[(phenylthio)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepine; succinic acid Formula: C21H24ClNO4S MolecularWeight: 421.93756

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC2=C1C=CC(=C2CSC3=CC=CC=C3)Cl.C(CC(=O)O)C(=O)O

Isomeric SMILES

C1CNCCC2=C1C=CC(=C2CSC3=CC=CC=C3)Cl.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C17H18ClNS.C4H6O4/c18-17-7-6-13-8-10-19-11-9-15(13)16(17)12-20-14-4-2-1-3-5-14;5-3(6)1-2-4(7)8/h1-7,19H,8-12H2;1-2H2,(H,5,6)(H,7,8)