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

Systemtic Name: 3-[2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanoylamino]-N-cyclopropyl-benzamide Openeye Name: 3-[[2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]amino]-N-cyclopropyl-benzamide CAS Name: 3-[[2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-oxoethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 3-[[2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 3-[[2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]amino]-N-cyclopropyl-benzamide Formula: C20H18ClN5O2S MolecularWeight: 427.90722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)CN3C(=NNC3=S)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)CN3C(=NNC3=S)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H18ClN5O2S/c21-14-6-4-12(5-7-14)18-24-25-20(29)26(18)11-17(27)22-16-3-1-2-13(10-16)19(28)23-15-8-9-15/h1-7,10,15H,8-9,11H2,(H,22,27)(H,23,28)(H,25,29)