4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-6,7-dimethyl-coumarin Formula: C20H16ClN3O2S MolecularWeight: 397.87794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NNC(=N3)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NNC(=N3)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C20H16ClN3O2S/c1-11-7-16-14(9-18(25)26-17(16)8-12(11)2)10-27-20-22-19(23-24-20)13-3-5-15(21)6-4-13/h3-9H,10H2,1-2H3,(H,22,23,24)