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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2CC=C)C(C3=CC=C(C=C3)C#N)S

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2CC=C)C(C3=CC=C(C=C3)C#N)S

InChI

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