4-methyl-3-phenyl-7-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methoxy]chromen-2-one

Systemtic Name: 4-methyl-3-phenyl-7-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methoxy]chromen-2-one Openeye Name: 4-methyl-3-phenyl-7-[(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)methoxy]chromen-2-one CAS Name: 4-methyl-3-phenyl-7-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methoxy]-1-benzopyran-2-one IUPAC Name: 4-methyl-3-phenyl-7-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methoxy]chromen-2-one Traditional Name: 4-methyl-3-phenyl-7-[(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)methoxy]coumarin Formula: C19H15N3O3S MolecularWeight: 365.4057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=NC(=S)NN3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=NC(=S)NN3)C4=CC=CC=C4

InChI

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