2-[[5-cyclopropyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[5-cyclopropyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-cyclopropyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-cyclopropyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-cyclopropyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[5-cyclopropyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C20H18N4S MolecularWeight: 346.44872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3C#N)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3C#N)C4CC4

InChI

InChI=1S/C20H18N4S/c1-14-6-10-18(11-7-14)24-19(15-8-9-15)22-23-20(24)25-13-17-5-3-2-4-16(17)12-21/h2-7,10-11,15H,8-9,13H2,1H3