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

Systemtic Name: 2-[2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-phenyl-benzamide Openeye Name: 2-[[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-phenyl-benzamide CAS Name: 2-[[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-N-phenylbenzamide IUPAC Name: 2-[[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-phenylbenzamide Traditional Name: 2-[[2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-phenyl-benzamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O3S/c1-2-3-13-26-20(29)24-25-21(26)30-14-18(27)23-17-12-8-7-11-16(17)19(28)22-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3,(H,22,28)(H,23,27)(H,24,29)