3-[2-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoyl-phenyl-amino]propanamide

Systemtic Name: 3-[2-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoyl-phenyl-amino]propanamide Openeye Name: 3-(N-[2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]anilino)propanamide CAS Name: 3-(N-[1-oxo-2-[[5-oxo-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]ethyl]anilino)propanamide IUPAC Name: 3-(N-[2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]anilino)propanamide Traditional Name: 3-(N-[2-[(4-benzyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetyl]anilino)propionamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)NN=C2SCC(=O)N(CCC(=O)N)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)NN=C2SCC(=O)N(CCC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C20H21N5O3S/c21-17(26)11-12-24(16-9-5-2-6-10-16)18(27)14-29-20-23-22-19(28)25(20)13-15-7-3-1-4-8-15/h1-10H,11-14H2,(H2,21,26)(H,22,28)