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

Systemtic Name: 3-[2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanoylamino]-N-propyl-benzamide Openeye Name: 3-[[2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]amino]-N-propyl-benzamide CAS Name: 3-[[2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-oxoethyl]amino]-N-propylbenzamide IUPAC Name: 3-[[2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetyl]amino]-N-propylbenzamide Traditional Name: 3-[[2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]amino]-N-propyl-benzamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCNC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)OC

InChI

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