4-chloranyl-N-[(1S)-1-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-3-methyl-butyl]benzamide

Systemtic Name: 4-chloranyl-N-[(1S)-1-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-3-methyl-butyl]benzamide Openeye Name: 4-chloro-N-[(1S)-1-(4-ethyl-5-thioxo-1H-1,2,4-triazol-3-yl)-3-methyl-butyl]benzamide CAS Name: 4-chloro-N-[(1S)-1-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-3-methylbutyl]benzamide IUPAC Name: 4-chloro-N-[(1S)-1-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-3-methylbutyl]benzamide Traditional Name: 4-chloro-N-[(1S)-1-(4-ethyl-5-thioxo-1H-1,2,4-triazol-3-yl)-3-methyl-butyl]benzamide Formula: C16H21ClN4OS MolecularWeight: 352.88214

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NNC1=S)C(CC(C)C)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCN1C(=NNC1=S)[C@H](CC(C)C)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H21ClN4OS/c1-4-21-14(19-20-16(21)23)13(9-10(2)3)18-15(22)11-5-7-12(17)8-6-11/h5-8,10,13H,4,9H2,1-3H3,(H,18,22)(H,20,23)/t13-/m0/s1