N-(1-cyano-1-cyclopropyl-ethyl)-2-[[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[[4-(2-furylmethyl)-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-cyano-1-cyclopropylethyl)-2-[[4-(2-furanylmethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-cyano-1-cyclopropylethyl)-2-[[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[[4-(2-furfuryl)-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC(C)(C#N)C4CC4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC(C)(C#N)C4CC4

InChI

InChI=1S/C22H23N5O2S/c1-15-5-3-6-16(11-15)20-25-26-21(27(20)12-18-7-4-10-29-18)30-13-19(28)24-22(2,14-23)17-8-9-17/h3-7,10-11,17H,8-9,12-13H2,1-2H3,(H,24,28)