7-methoxy-4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 7-methoxy-4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-methoxy-4-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-methoxy-4-[[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-methoxy-4-[[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)OC)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)OC)C

InChI

InChI=1S/C21H19N3O3S/c1-13-6-4-5-7-18(13)24-14(2)22-23-21(24)28-12-15-10-20(25)27-19-11-16(26-3)8-9-17(15)19/h4-11H,12H2,1-3H3