4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-chromen-2-one CAS Name: 7-hydroxy-4-[[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methylchromen-2-one Traditional Name: 7-hydroxy-4-[[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-coumarin Formula: C20H17N3O4S MolecularWeight: 395.43168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=CN3C4=CC=CC=C4OC)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=CN3C4=CC=CC=C4OC)O

InChI

InChI=1S/C20H17N3O4S/c1-12-16(24)8-7-14-13(9-18(25)27-19(12)14)10-28-20-22-21-11-23(20)15-5-3-4-6-17(15)26-2/h3-9,11,24H,10H2,1-2H3