N-[3-chloranyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide

Systemtic Name: N-[3-chloranyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide Openeye Name: N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-1H-1,2,4-triazole-5-carboxamide CAS Name: N-[3-chloro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]-1H-1,2,4-triazole-5-carboxamide IUPAC Name: N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-1H-1,2,4-triazole-5-carboxamide Traditional Name: N-[3-chloro-4-[4-(2-thenoyl)piperazino]phenyl]-1H-1,2,4-triazole-5-carboxamide Formula: C18H17ClN6O2S MolecularWeight: 416.88458

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=NC=NN3)Cl)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=NC=NN3)Cl)C(=O)C4=CC=CS4

InChI

InChI=1S/C18H17ClN6O2S/c19-13-10-12(22-17(26)16-20-11-21-23-16)3-4-14(13)24-5-7-25(8-6-24)18(27)15-2-1-9-28-15/h1-4,9-11H,5-8H2,(H,22,26)(H,20,21,23)