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

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-diphenyl-furan-2-yl)propanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-diphenyl-2-furyl)propanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(3-cyano-4,5-diphenyl-2-furanyl)propanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(3-cyano-4,5-diphenyl-2-furyl)propionamide Formula: C30H26N6O2S MolecularWeight: 534.63144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3)C#N)N4C(=NN=C4SCCC5=CC=CC=C5)N

Isomeric SMILES

CC(C(=O)NC1=C(C(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3)C#N)N4C(=NN=C4SCCC5=CC=CC=C5)N

InChI

InChI=1S/C30H26N6O2S/c1-20(36-29(32)34-35-30(36)39-18-17-21-11-5-2-6-12-21)27(37)33-28-24(19-31)25(22-13-7-3-8-14-22)26(38-28)23-15-9-4-10-16-23/h2-16,20H,17-18H2,1H3,(H2,32,34)(H,33,37)