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

Systemtic Name: 3-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 3-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C14H14N4S MolecularWeight: 270.35276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C14H14N4S/c1-3-7-18-11(2)16-17-14(18)19-10-13-6-4-5-12(8-13)9-15/h3-6,8H,1,7,10H2,2H3