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

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-diphenyl-furan-2-yl)ethanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-diphenyl-2-furyl)acetamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(3-cyano-4,5-diphenyl-2-furanyl)acetamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(3-cyano-4,5-diphenyl-2-furyl)acetamide Formula: C29H24N6O2S MolecularWeight: 520.60486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NN=C(N2CC(=O)NC3=C(C(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NN=C(N2CC(=O)NC3=C(C(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5)C#N)N

InChI

InChI=1S/C29H24N6O2S/c30-18-23-25(21-12-6-2-7-13-21)26(22-14-8-3-9-15-22)37-27(23)32-24(36)19-35-28(31)33-34-29(35)38-17-16-20-10-4-1-5-11-20/h1-15H,16-17,19H2,(H2,31,33)(H,32,36)