7-chloranyl-3-methyl-5-phenyl-2-(phenylmethylsulfanyl)-1,3,4-benzotriazepine

Systemtic Name: 7-chloranyl-3-methyl-5-phenyl-2-(phenylmethylsulfanyl)-1,3,4-benzotriazepine Openeye Name: 2-benzylsulfanyl-7-chloro-3-methyl-5-phenyl-1,3,4-benzotriazepine CAS Name: 7-chloro-3-methyl-5-phenyl-2-(phenylmethylthio)-1,3,4-benzotriazepine IUPAC Name: 2-benzylsulfanyl-7-chloro-3-methyl-5-phenyl-1,3,4-benzotriazepine Traditional Name: 2-(benzylthio)-7-chloro-3-methyl-5-phenyl-1,3,4-benzotriazepine Formula: C22H18ClN3S MolecularWeight: 391.91642

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

CN1C(=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C22H18ClN3S/c1-26-22(27-15-16-8-4-2-5-9-16)24-20-13-12-18(23)14-19(20)21(25-26)17-10-6-3-7-11-17/h2-14H,15H2,1H3