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

Systemtic Name: 2-[2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]acetyl]amino]thiophene-3-carboxamide Formula: C25H31N5O2S2 MolecularWeight: 497.67594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)NC4=C(C=CS4)C(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)NC4=C(C=CS4)C(=O)N

InChI

InChI=1S/C25H31N5O2S2/c1-25(2,3)17-11-9-16(10-12-17)22-28-29-24(30(22)18-7-5-4-6-8-18)34-15-20(31)27-23-19(21(26)32)13-14-33-23/h9-14,18H,4-8,15H2,1-3H3,(H2,26,32)(H,27,31)