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

Systemtic Name: 3-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)propanamide Openeye Name: 3-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)propanamide CAS Name: 3-[[5-(1-benzotriazolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(4-ethoxyphenyl)propanamide IUPAC Name: 3-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)propanamide Traditional Name: 3-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-p-phenetyl-propionamide Formula: C25H23N7O2S MolecularWeight: 485.56082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CCSC2=NN=C(N2C3=CC=CC=C3)N4C5=CC=CC=C5N=N4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CCSC2=NN=C(N2C3=CC=CC=C3)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C25H23N7O2S/c1-2-34-20-14-12-18(13-15-20)26-23(33)16-17-35-25-29-28-24(31(25)19-8-4-3-5-9-19)32-22-11-7-6-10-21(22)27-30-32/h3-15H,2,16-17H2,1H3,(H,26,33)