2-[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]thiophene-3-carboxamide Formula: C21H23N5O2S2 MolecularWeight: 441.56962

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=NN2C3=CC=CC=C3)SCC(=O)NC4=C(C=CS4)C(=O)N

Isomeric SMILES

C1CCC(CC1)C2=NC(=NN2C3=CC=CC=C3)SCC(=O)NC4=C(C=CS4)C(=O)N

InChI

InChI=1S/C21H23N5O2S2/c22-18(28)16-11-12-29-20(16)23-17(27)13-30-21-24-19(14-7-3-1-4-8-14)26(25-21)15-9-5-2-6-10-15/h2,5-6,9-12,14H,1,3-4,7-8,13H2,(H2,22,28)(H,23,27)