N-[4-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxidanylidene-chromen-7-yl]ethanamide

Systemtic Name: N-[4-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxidanylidene-chromen-7-yl]ethanamide Openeye Name: N-[4-[[5-methyl-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxo-chromen-7-yl]acetamide CAS Name: N-[4-[[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-oxo-1-benzopyran-7-yl]acetamide IUPAC Name: N-[4-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxochromen-7-yl]acetamide Traditional Name: N-[2-keto-4-[[[5-methyl-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]methyl]chromen-7-yl]acetamide Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)NC(=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)NC(=O)C)C

InChI

InChI=1S/C22H20N4O3S/c1-13-5-4-6-18(9-13)26-14(2)24-25-22(26)30-12-16-10-21(28)29-20-11-17(23-15(3)27)7-8-19(16)20/h4-11H,12H2,1-3H3,(H,23,27)