2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylcyclohexyl)ethanamide

Systemtic Name: 2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylcyclohexyl)ethanamide Openeye Name: 2-[[4-allyl-5-(7-methoxybenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylcyclohexyl)acetamide CAS Name: 2-[[5-(7-methoxy-2-benzofuranyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(2-methylcyclohexyl)acetamide IUPAC Name: 2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylcyclohexyl)acetamide Traditional Name: 2-[[4-allyl-5-(7-methoxybenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-N-(2-methylcyclohexyl)acetamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=NN=C(N2CC=C)C3=CC4=C(O3)C(=CC=C4)OC

Isomeric SMILES

CC1CCCCC1NC(=O)CSC2=NN=C(N2CC=C)C3=CC4=C(O3)C(=CC=C4)OC

InChI

InChI=1S/C23H28N4O3S/c1-4-12-27-22(19-13-16-9-7-11-18(29-3)21(16)30-19)25-26-23(27)31-14-20(28)24-17-10-6-5-8-15(17)2/h4,7,9,11,13,15,17H,1,5-6,8,10,12,14H2,2-3H3,(H,24,28)