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

Systemtic Name: 2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C16H14N4OS MolecularWeight: 310.37356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C)SCC3=CC=CC=C3C#N

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C)SCC3=CC=CC=C3C#N

InChI

InChI=1S/C16H14N4OS/c1-11-14(7-8-21-11)15-18-19-16(20(15)2)22-10-13-6-4-3-5-12(13)9-17/h3-8H,10H2,1-2H3