8-methyl-7-oxidanyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 8-methyl-7-oxidanyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-hydroxy-8-methyl-4-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-8-methyl-4-[[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C17H13N3O3S2 MolecularWeight: 371.43342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NNC(=N3)C4=CC=CS4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NNC(=N3)C4=CC=CS4)O

InChI

InChI=1S/C17H13N3O3S2/c1-9-12(21)5-4-11-10(7-14(22)23-15(9)11)8-25-17-18-16(19-20-17)13-3-2-6-24-13/h2-7,21H,8H2,1H3,(H,18,19,20)