3-[3-cyclopropyl-5-[2-oxidanylidene-2-[(4-phenylphenyl)amino]ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-cyclopropyl-5-[2-oxidanylidene-2-[(4-phenylphenyl)amino]ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-cyclopropyl-5-[2-oxo-2-(4-phenylanilino)ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-cyclopropyl-5-[[2-oxo-2-(4-phenylanilino)ethyl]thio]-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-cyclopropyl-5-[2-oxo-2-(4-phenylanilino)ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-cyclopropyl-5-[[2-keto-2-(4-phenylanilino)ethyl]thio]-1,2,4-triazol-4-yl]propionamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CCC(=O)N)SCC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NN=C(N2CCC(=O)N)SCC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N5O2S/c23-19(28)12-13-27-21(17-6-7-17)25-26-22(27)30-14-20(29)24-18-10-8-16(9-11-18)15-4-2-1-3-5-15/h1-5,8-11,17H,6-7,12-14H2,(H2,23,28)(H,24,29)