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

Systemtic Name: 7-methoxy-4-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-methoxy-4-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-methoxy-4-[[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-methoxy-4-[[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O3S/c1-13-5-3-4-6-17(13)23-12-21-22-20(23)27-11-14-9-19(24)26-18-10-15(25-2)7-8-16(14)18/h3-10,12H,11H2,1-2H3