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

Systemtic Name: 3-phenyl-4-propyl-7-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methoxy]chromen-2-one Openeye Name: 3-phenyl-4-propyl-7-[(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)methoxy]chromen-2-one CAS Name: 3-phenyl-4-propyl-7-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methoxy]-1-benzopyran-2-one IUPAC Name: 3-phenyl-4-propyl-7-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methoxy]chromen-2-one Traditional Name: 3-phenyl-4-propyl-7-[(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)methoxy]coumarin Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=NC(=S)NN3)C4=CC=CC=C4

Isomeric SMILES

CCCC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=NC(=S)NN3)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3O3S/c1-2-6-16-15-10-9-14(26-12-18-22-21(28)24-23-18)11-17(15)27-20(25)19(16)13-7-4-3-5-8-13/h3-5,7-11H,2,6,12H2,1H3,(H2,22,23,24,28)