N-(4-butylphenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-butylphenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-butylphenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-butylphenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-butylphenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3CCCCC3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3CCCCC3)C

InChI

InChI=1S/C21H30N4OS/c1-3-4-8-17-11-13-18(14-12-17)22-20(26)15-27-21-24-23-16(2)25(21)19-9-6-5-7-10-19/h11-14,19H,3-10,15H2,1-2H3,(H,22,26)