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

Systemtic Name: 5-methylsulfanyl-7-phenyl-1-(phenylmethyl)benzotriazole-4-carbonitrile Openeye Name: 1-benzyl-5-methylsulfanyl-7-phenyl-benzotriazole-4-carbonitrile CAS Name: 5-(methylthio)-7-phenyl-1-(phenylmethyl)-4-benzotriazolecarbonitrile IUPAC Name: 1-benzyl-5-methylsulfanyl-7-phenylbenzotriazole-4-carbonitrile Traditional Name: 1-benzyl-5-(methylthio)-7-phenyl-benzotriazole-4-carbonitrile Formula: C21H16N4S MolecularWeight: 356.44354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4S/c1-26-19-12-17(16-10-6-3-7-11-16)21-20(18(19)13-22)23-24-25(21)14-15-8-4-2-5-9-15/h2-12H,14H2,1H3