4-[2-[[4-(furan-2-ylmethyl)-5-oxidanylidene-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[2-[[4-(furan-2-ylmethyl)-5-oxidanylidene-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]benzenecarbonitrile Openeye Name: 4-[2-[[4-(2-furylmethyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzonitrile CAS Name: 4-[2-[[4-(2-furanylmethyl)-5-oxo-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]benzonitrile IUPAC Name: 4-[2-[[4-(furan-2-ylmethyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzonitrile Traditional Name: 4-[2-[[4-(2-furfuryl)-5-keto-1H-1,2,4-triazol-3-yl]thio]acetyl]benzonitrile Formula: C16H12N4O3S MolecularWeight: 340.35648

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN2C(=O)NN=C2SCC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=COC(=C1)CN2C(=O)NN=C2SCC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H12N4O3S/c17-8-11-3-5-12(6-4-11)14(21)10-24-16-19-18-15(22)20(16)9-13-2-1-7-23-13/h1-7H,9-10H2,(H,18,22)