N-(3-acetamidophenyl)-3-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(3-acetamidophenyl)-3-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(3-acetamidophenyl)-3-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(3-acetamidophenyl)-3-[[5-(1-benzotriazolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(3-acetamidophenyl)-3-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(3-acetamidophenyl)-3-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C25H22N8O2S MolecularWeight: 498.55958

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)CCSC2=NN=C(N2C3=CC=CC=C3)N4C5=CC=CC=C5N=N4

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)CCSC2=NN=C(N2C3=CC=CC=C3)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C25H22N8O2S/c1-17(34)26-18-8-7-9-19(16-18)27-23(35)14-15-36-25-30-29-24(32(25)20-10-3-2-4-11-20)33-22-13-6-5-12-21(22)28-31-33/h2-13,16H,14-15H2,1H3,(H,26,34)(H,27,35)