2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxyphenyl)carbamoyl]ethanamide

Systemtic Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxyphenyl)carbamoyl]ethanamide Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxyphenyl)carbamoyl]acetamide CAS Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-[(4-methoxyanilino)-oxomethyl]acetamide IUPAC Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxyphenyl)carbamoyl]acetamide Traditional Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-[(4-methoxyphenyl)carbamoyl]acetamide Formula: C21H27N5O3S MolecularWeight: 429.53578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NC(=O)CSC2=NN=C(N2CC=C)C3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NC(=O)CSC2=NN=C(N2CC=C)C3CCCCC3

InChI

InChI=1S/C21H27N5O3S/c1-3-13-26-19(15-7-5-4-6-8-15)24-25-21(26)30-14-18(27)23-20(28)22-16-9-11-17(29-2)12-10-16/h3,9-12,15H,1,4-8,13-14H2,2H3,(H2,22,23,27,28)