N-(2-ethyl-6-methyl-phenyl)-2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(7-methoxybenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[[5-(7-methoxy-2-benzofuranyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(7-methoxybenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC4=C(O3)C(=CC=C4)OC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC4=C(O3)C(=CC=C4)OC)C

InChI

InChI=1S/C25H26N4O3S/c1-5-13-29-24(20-14-18-11-8-12-19(31-4)23(18)32-20)27-28-25(29)33-15-21(30)26-22-16(3)9-7-10-17(22)6-2/h5,7-12,14H,1,6,13,15H2,2-4H3,(H,26,30)