2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(4-ethylphenyl)ethyl]ethanamide

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(4-ethylphenyl)ethyl]ethanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(4-ethylphenyl)ethyl]acetamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-[1-(4-ethylphenyl)ethyl]acetamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(4-ethylphenyl)ethyl]acetamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-[1-(4-ethylphenyl)ethyl]acetamide Formula: C20H29N5OS MolecularWeight: 387.54216

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)CSC2=NN=C(N2N)C3CCCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)C(C)NC(=O)CSC2=NN=C(N2N)C3CCCCC3

InChI

InChI=1S/C20H29N5OS/c1-3-15-9-11-16(12-10-15)14(2)22-18(26)13-27-20-24-23-19(25(20)21)17-7-5-4-6-8-17/h9-12,14,17H,3-8,13,21H2,1-2H3,(H,22,26)