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

Systemtic Name: 2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-allyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-allyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C14H14N4S MolecularWeight: 270.35276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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