6,7-dimethyl-4-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SCC3=CC(=O)OC4=CC(=C(C=C34)C)C

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SCC3=CC(=O)OC4=CC(=C(C=C34)C)C

InChI

InChI=1S/C21H19N3O2S/c1-13-6-4-5-7-18(13)24-12-22-23-21(24)27-11-16-10-20(25)26-19-9-15(3)14(2)8-17(16)19/h4-10,12H,11H2,1-3H3