4-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-furylmethyl)-5-isopropyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-(2-furanylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-(2-furfuryl)-5-isopropyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1CC2=CC=CO2)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)C1=NN=C(N1CC2=CC=CO2)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H18N4OS/c1-13(2)17-20-21-18(22(17)11-16-4-3-9-23-16)24-12-15-7-5-14(10-19)6-8-15/h3-9,13H,11-12H2,1-2H3