2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C18H16N4S MolecularWeight: 320.41144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=NN=C2SCC3=CC=CC=C3C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=NN=C2SCC3=CC=CC=C3C#N)C

InChI

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