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

Systemtic Name: 4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-4-[[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-4-[[(5-methyl-4-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=NN=C(N1C2=CC=CC=C2)SCC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

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