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

Systemtic Name: 3-[2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-phenyl-amino]propanamide Openeye Name: 3-(N-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]anilino)propanamide CAS Name: 3-(N-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]anilino)propanamide IUPAC Name: 3-(N-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]anilino)propanamide Traditional Name: 3-(N-[2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetyl]anilino)propionamide Formula: C17H23N5O3S MolecularWeight: 377.46122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)N(CCC(=O)N)C2=CC=CC=C2

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)N(CCC(=O)N)C2=CC=CC=C2

InChI

InChI=1S/C17H23N5O3S/c1-2-3-10-22-16(25)19-20-17(22)26-12-15(24)21(11-9-14(18)23)13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3,(H2,18,23)(H,19,25)