N-(3-acetamidophenyl)-2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SC(C)C(=O)NC2=CC=CC(=C2)NC(=O)C

Isomeric SMILES

CCCCN1C(=O)NN=C1SC(C)C(=O)NC2=CC=CC(=C2)NC(=O)C

InChI

InChI=1S/C17H23N5O3S/c1-4-5-9-22-16(25)20-21-17(22)26-11(2)15(24)19-14-8-6-7-13(10-14)18-12(3)23/h6-8,10-11H,4-5,9H2,1-3H3,(H,18,23)(H,19,24)(H,20,25)