2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C18H16N4S MolecularWeight: 320.41144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC#N)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC#N)C3=CC=CC=C3)C

InChI

InChI=1S/C18H16N4S/c1-13-8-9-16(12-14(13)2)22-17(15-6-4-3-5-7-15)20-21-18(22)23-11-10-19/h3-9,12H,11H2,1-2H3