7-[[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]-4,8-dimethyl-chromen-2-one

Systemtic Name: 7-[[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]-4,8-dimethyl-chromen-2-one Openeye Name: 7-[[4-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methoxy]-4,8-dimethyl-chromen-2-one CAS Name: 7-[[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]-4,8-dimethyl-1-benzopyran-2-one IUPAC Name: 7-[[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]-4,8-dimethylchromen-2-one Traditional Name: 7-[[4-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methoxy]-4,8-dimethyl-coumarin Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C)OCC3=NNC(=S)N3C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C)OCC3=NNC(=S)N3C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H19N3O4S/c1-12-10-19(25)28-20-13(2)17(9-8-16(12)20)27-11-18-22-23-21(29)24(18)14-4-6-15(26-3)7-5-14/h4-10H,11H2,1-3H3,(H,23,29)