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

Systemtic Name: N-[4-[2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]benzamide Openeye Name: N-[4-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]benzamide CAS Name: N-[4-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]phenyl]benzamide IUPAC Name: N-[4-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]benzamide Traditional Name: N-[4-[2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetyl]phenyl]benzamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3S/c1-2-3-13-25-20(28)23-24-21(25)29-14-18(26)15-9-11-17(12-10-15)22-19(27)16-7-5-4-6-8-16/h4-12H,2-3,13-14H2,1H3,(H,22,27)(H,23,28)