3-[4-methyl-5-[1-[2-(3-methylphenyl)-1,2,3,4-tetrazol-5-yl]ethylsulfanyl]-1,2,4-triazol-3-yl]benzenecarbonitrile

Systemtic Name: 3-[4-methyl-5-[1-[2-(3-methylphenyl)-1,2,3,4-tetrazol-5-yl]ethylsulfanyl]-1,2,4-triazol-3-yl]benzenecarbonitrile Openeye Name: 3-[4-methyl-5-[1-[2-(m-tolyl)tetrazol-5-yl]ethylsulfanyl]-1,2,4-triazol-3-yl]benzonitrile CAS Name: 3-[4-methyl-5-[1-[2-(3-methylphenyl)-5-tetrazolyl]ethylthio]-1,2,4-triazol-3-yl]benzonitrile IUPAC Name: 3-[4-methyl-5-[1-[2-(3-methylphenyl)tetrazol-5-yl]ethylsulfanyl]-1,2,4-triazol-3-yl]benzonitrile Traditional Name: 3-[4-methyl-5-[1-[2-(m-tolyl)tetrazol-5-yl]ethylthio]-1,2,4-triazol-3-yl]benzonitrile Formula: C20H18N8S MolecularWeight: 402.47552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2N=C(N=N2)C(C)SC3=NN=C(N3C)C4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=CC(=CC=C1)N2N=C(N=N2)C(C)SC3=NN=C(N3C)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C20H18N8S/c1-13-6-4-9-17(10-13)28-25-18(22-26-28)14(2)29-20-24-23-19(27(20)3)16-8-5-7-15(11-16)12-21/h4-11,14H,1-3H3