7-chloranyl-3-methyl-2-methylsulfanyl-5-phenyl-1,3,4-benzotriazepine

Systemtic Name: 7-chloranyl-3-methyl-2-methylsulfanyl-5-phenyl-1,3,4-benzotriazepine Openeye Name: 7-chloro-3-methyl-2-methylsulfanyl-5-phenyl-1,3,4-benzotriazepine CAS Name: 7-chloro-3-methyl-2-(methylthio)-5-phenyl-1,3,4-benzotriazepine IUPAC Name: 7-chloro-3-methyl-2-methylsulfanyl-5-phenyl-1,3,4-benzotriazepine Traditional Name: 7-chloro-3-methyl-2-(methylthio)-5-phenyl-1,3,4-benzotriazepine Formula: C16H14ClN3S MolecularWeight: 315.82046

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)SC

Isomeric SMILES

CN1C(=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)SC

InChI

InChI=1S/C16H14ClN3S/c1-20-16(21-2)18-14-9-8-12(17)10-13(14)15(19-20)11-6-4-3-5-7-11/h3-10H,1-2H3