N-phenyl-3-[[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanoylamino]methyl]benzamide

Systemtic Name: N-phenyl-3-[[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanoylamino]methyl]benzamide Openeye Name: N-phenyl-3-[[[2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetyl]amino]methyl]benzamide CAS Name: 3-[[[1-oxo-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]amino]methyl]-N-phenylbenzamide IUPAC Name: N-phenyl-3-[[[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetyl]amino]methyl]benzamide Traditional Name: N-phenyl-3-[[[2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetyl]amino]methyl]benzamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)NCC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)NCC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2S/c1-2-7-18-24-25-21(29)26(18)14-19(27)22-13-15-8-6-9-16(12-15)20(28)23-17-10-4-3-5-11-17/h3-6,8-12H,2,7,13-14H2,1H3,(H,22,27)(H,23,28)(H,25,29)