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

Systemtic Name: 4-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-allyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-allyl-5-(o-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=CC=C1C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H18N4S/c1-3-12-24-19(18-7-5-4-6-15(18)2)22-23-20(24)25-14-17-10-8-16(13-21)9-11-17/h3-11H,1,12,14H2,2H3