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

Systemtic Name: 2-[2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-cyclopropyl-benzamide Openeye Name: 2-[[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-cyclopropyl-benzamide CAS Name: 2-[[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 2-[[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 2-[[2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-cyclopropyl-benzamide Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)NC2=CC=CC=C2C(=O)NC3CC3

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)NC2=CC=CC=C2C(=O)NC3CC3

InChI

InChI=1S/C18H23N5O3S/c1-2-3-10-23-17(26)21-22-18(23)27-11-15(24)20-14-7-5-4-6-13(14)16(25)19-12-8-9-12/h4-7,12H,2-3,8-11H2,1H3,(H,19,25)(H,20,24)(H,21,26)