4-[[4-(3-chloranyl-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-(3-chloranyl-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-coumarin Formula: C21H18ClN3O2S MolecularWeight: 411.90452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=CN3C4=CC(=C(C=C4)C)Cl)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=CN3C4=CC(=C(C=C4)C)Cl)C

InChI

InChI=1S/C21H18ClN3O2S/c1-12-5-7-17-15(8-19(26)27-20(17)14(12)3)10-28-21-24-23-11-25(21)16-6-4-13(2)18(22)9-16/h4-9,11H,10H2,1-3H3