N-(5-phenyl-1H-1,2,4-triazol-3-yl)-4-thiophen-2-ylcarbonyl-piperazine-1-carboxamide

Systemtic Name: N-(5-phenyl-1H-1,2,4-triazol-3-yl)-4-thiophen-2-ylcarbonyl-piperazine-1-carboxamide Openeye Name: N-(5-phenyl-1H-1,2,4-triazol-3-yl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide CAS Name: 4-[oxo(thiophen-2-yl)methyl]-N-(5-phenyl-1H-1,2,4-triazol-3-yl)-1-piperazinecarboxamide IUPAC Name: N-(5-phenyl-1H-1,2,4-triazol-3-yl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide Traditional Name: N-(5-phenyl-1H-1,2,4-triazol-3-yl)-4-(2-thenoyl)piperazine-1-carboxamide Formula: C18H18N6O2S MolecularWeight: 382.43952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CS2)C(=O)NC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CS2)C(=O)NC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C18H18N6O2S/c25-16(14-7-4-12-27-14)23-8-10-24(11-9-23)18(26)20-17-19-15(21-22-17)13-5-2-1-3-6-13/h1-7,12H,8-11H2,(H2,19,20,21,22,26)