8-methyl-7-oxidanyl-4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 8-methyl-7-oxidanyl-4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-hydroxy-8-methyl-4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[[(1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-8-methyl-4-[[(1-phenyl-1,2,4-triazol-3-yl)thio]methyl]coumarin Formula: C19H15N3O3S MolecularWeight: 365.4057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN(C=N3)C4=CC=CC=C4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN(C=N3)C4=CC=CC=C4)O

InChI

InChI=1S/C19H15N3O3S/c1-12-16(23)8-7-15-13(9-17(24)25-18(12)15)10-26-19-20-11-22(21-19)14-5-3-2-4-6-14/h2-9,11,23H,10H2,1H3