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

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-diphenyl-furan-2-yl)butanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-diphenyl-2-furyl)butanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(3-cyano-4,5-diphenyl-2-furanyl)butanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-diphenylfuran-2-yl)butanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(3-cyano-4,5-diphenyl-2-furyl)butyramide Formula: C31H28N6O2S MolecularWeight: 548.65802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(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

CCC(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/C31H28N6O2S/c1-2-25(37-30(33)35-36-31(37)40-19-18-21-12-6-3-7-13-21)28(38)34-29-24(20-32)26(22-14-8-4-9-15-22)27(39-29)23-16-10-5-11-17-23/h3-17,25H,2,18-19H2,1H3,(H2,33,35)(H,34,38)