N-(3-cyano-4,5-diphenyl-furan-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide

Systemtic Name: N-(3-cyano-4,5-diphenyl-furan-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-(3-cyano-4,5-diphenyl-2-furyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: N-(3-cyano-4,5-diphenyl-2-furanyl)-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide Traditional Name: N-(3-cyano-4,5-diphenyl-2-furyl)-2-(1H-1,2,4-triazol-5-ylthio)acetamide Formula: C21H15N5O2S MolecularWeight: 401.4411

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(OC(=C2C#N)NC(=O)CSC3=NC=NN3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(OC(=C2C#N)NC(=O)CSC3=NC=NN3)C4=CC=CC=C4

InChI

InChI=1S/C21H15N5O2S/c22-11-16-18(14-7-3-1-4-8-14)19(15-9-5-2-6-10-15)28-20(16)25-17(27)12-29-21-23-13-24-26-21/h1-10,13H,12H2,(H,25,27)(H,23,24,26)