4-butyl-N-[2-(4-methyl-5-oxidanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]cyclohexane-1-carboxamide

Systemtic Name: 4-butyl-N-[2-(4-methyl-5-oxidanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]cyclohexane-1-carboxamide Openeye Name: 4-butyl-N-[2-[4-methyl-5-oxo-3-(2-thienyl)-1,2,4-triazol-1-yl]ethyl]cyclohexanecarboxamide CAS Name: 4-butyl-N-[2-(4-methyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-1-cyclohexanecarboxamide IUPAC Name: 4-butyl-N-[2-(4-methyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]cyclohexane-1-carboxamide Traditional Name: 4-butyl-N-[2-[5-keto-4-methyl-3-(2-thienyl)-1,2,4-triazol-1-yl]ethyl]cyclohexanecarboxamide Formula: C20H30N4O2S MolecularWeight: 390.5428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)NCCN2C(=O)N(C(=N2)C3=CC=CS3)C

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)NCCN2C(=O)N(C(=N2)C3=CC=CS3)C

InChI

InChI=1S/C20H30N4O2S/c1-3-4-6-15-8-10-16(11-9-15)19(25)21-12-13-24-20(26)23(2)18(22-24)17-7-5-14-27-17/h5,7,14-16H,3-4,6,8-13H2,1-2H3,(H,21,25)