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

Systemtic Name: 7-methyl-4-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-methyl-4-[[5-methyl-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-4-[[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-methyl-4-[[[5-methyl-4-(m-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=C1)N2C(=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)C)C

Isomeric SMILES

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

InChI

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