2-[[5-(2-methylfuran-3-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 2-[[5-(2-methylfuran-3-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 2-[[4-benzyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 2-[[5-(2-methyl-3-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 2-[[4-benzyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 2-[[4-benzyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C17H16N4OS MolecularWeight: 324.40014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2CC3=CC=CC=C3)SC(C)C#N

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CC3=CC=CC=C3)SC(C)C#N

InChI

InChI=1S/C17H16N4OS/c1-12(10-18)23-17-20-19-16(15-8-9-22-13(15)2)21(17)11-14-6-4-3-5-7-14/h3-9,12H,11H2,1-2H3