7-(4-chlorophenyl)-5-methylsulfanyl-1-(phenylmethyl)benzotriazole-4-carbonitrile

Systemtic Name: 7-(4-chlorophenyl)-5-methylsulfanyl-1-(phenylmethyl)benzotriazole-4-carbonitrile Openeye Name: 1-benzyl-7-(4-chlorophenyl)-5-methylsulfanyl-benzotriazole-4-carbonitrile CAS Name: 7-(4-chlorophenyl)-5-(methylthio)-1-(phenylmethyl)-4-benzotriazolecarbonitrile IUPAC Name: 1-benzyl-7-(4-chlorophenyl)-5-methylsulfanylbenzotriazole-4-carbonitrile Traditional Name: 1-benzyl-7-(4-chlorophenyl)-5-(methylthio)benzotriazole-4-carbonitrile Formula: C21H15ClN4S MolecularWeight: 390.8886

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C2=C(C(=C1)C3=CC=C(C=C3)Cl)N(N=N2)CC4=CC=CC=C4)C#N

Isomeric SMILES

CSC1=C(C2=C(C(=C1)C3=CC=C(C=C3)Cl)N(N=N2)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C21H15ClN4S/c1-27-19-11-17(15-7-9-16(22)10-8-15)21-20(18(19)12-23)24-25-26(21)13-14-5-3-2-4-6-14/h2-11H,13H2,1H3