N-[4-(3-phenylsulfanylpropanoylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide

Systemtic Name: N-[4-(3-phenylsulfanylpropanoylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide Openeye Name: N-[4-(3-phenylsulfanylpropanoylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide CAS Name: N-[4-[[1-oxo-3-(phenylthio)propyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide IUPAC Name: N-[4-(3-phenylsulfanylpropanoylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide Traditional Name: N-[4-[3-(phenylthio)propanoylamino]phenyl]-2-(1,2,4-triazol-1-yl)propionamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)CCSC2=CC=CC=C2)N3C=NC=N3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)CCSC2=CC=CC=C2)N3C=NC=N3

InChI

InChI=1S/C20H21N5O2S/c1-15(25-14-21-13-22-25)20(27)24-17-9-7-16(8-10-17)23-19(26)11-12-28-18-5-3-2-4-6-18/h2-10,13-15H,11-12H2,1H3,(H,23,26)(H,24,27)