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

Systemtic Name: 4-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-4-[[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-4-[[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C25H19N3O4S MolecularWeight: 457.50106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=O)OC5=C4C=CC(=C5)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=O)OC5=C4C=CC(=C5)O

InChI

InChI=1S/C25H19N3O4S/c1-31-20-9-5-6-16(12-20)24-26-27-25(28(24)18-7-3-2-4-8-18)33-15-17-13-23(30)32-22-14-19(29)10-11-21(17)22/h2-14,29H,15H2,1H3