5,7-dimethyl-6-phenylsulfanyl-2,3-dihydro-1H-1,4-diazepine chloride

Systemtic Name: 5,7-dimethyl-6-phenylsulfanyl-2,3-dihydro-1H-1,4-diazepine chloride Openeye Name: 5,7-dimethyl-6-phenylsulfanyl-2,3-dihydro-1H-1,4-diazepine chloride CAS Name: 5,7-dimethyl-6-(phenylthio)-2,3-dihydro-1H-1,4-diazepine chloride IUPAC Name: 5,7-dimethyl-6-phenylsulfanyl-2,3-dihydro-1H-1,4-diazepine chloride Traditional Name: 5,7-dimethyl-6-(phenylthio)-2,3-dihydro-1H-1,4-diazepine chloride Formula: C13H16ClN2S- MolecularWeight: 267.79754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NCCN1)C)SC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC1=C(C(=NCCN1)C)SC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C13H16N2S.ClH/c1-10-13(11(2)15-9-8-14-10)16-12-6-4-3-5-7-12;/h3-7,14H,8-9H2,1-2H3;1H/p-1