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

Systemtic Name: 4-[[4-(2-methoxy-5-methyl-phenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[4-(2-methoxy-5-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[4-(2-methoxy-5-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(2-methoxy-5-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[[4-(2-methoxy-5-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-coumarin Formula: C25H21N3O3S2 MolecularWeight: 475.58254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)C)C5=CC=CS5

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)C)C5=CC=CS5

InChI

InChI=1S/C25H21N3O3S2/c1-15-7-9-20(30-3)19(11-15)28-24(22-5-4-10-32-22)26-27-25(28)33-14-17-13-23(29)31-21-12-16(2)6-8-18(17)21/h4-13H,14H2,1-3H3