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

Systemtic Name: 7-methoxy-4-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-methoxy-4-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-methoxy-4-[[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-methoxy-4-[[[4-methyl-5-(p-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=C(C=C1)C2=NN=C(N2C)SCC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

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