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

Systemtic Name: 7,8-dimethyl-4-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7,8-dimethyl-4-[[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7,8-dimethyl-4-[[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C19H17N3O2S2 MolecularWeight: 383.48718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=N3)CC4=CC=CS4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=N3)CC4=CC=CS4)C

InChI

InChI=1S/C19H17N3O2S2/c1-11-5-6-15-13(8-17(23)24-18(15)12(11)2)10-26-19-20-16(21-22-19)9-14-4-3-7-25-14/h3-8H,9-10H2,1-2H3,(H,20,21,22)