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

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-(2-furylmethyl)-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-(2-furanylmethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-(2-furfuryl)-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C16H14N4OS MolecularWeight: 310.37356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC#N

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC#N

InChI

InChI=1S/C16H14N4OS/c1-12-4-2-5-13(10-12)15-18-19-16(22-9-7-17)20(15)11-14-6-3-8-21-14/h2-6,8,10H,9,11H2,1H3