2-chloranyl-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-quinoline

Systemtic Name: 2-chloranyl-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-quinoline Openeye Name: 2-chloro-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-quinoline CAS Name: 2-chloro-3-[[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethylquinoline IUPAC Name: 2-chloro-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethylquinoline Traditional Name: 2-chloro-3-[[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-quinoline Formula: C21H19ClN4OS MolecularWeight: 410.91976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NNC(=N3)C4=CC=C(C=C4)OC)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NNC(=N3)C4=CC=C(C=C4)OC)Cl)C

InChI

InChI=1S/C21H19ClN4OS/c1-12-4-5-15-10-16(19(22)23-18(15)13(12)2)11-28-21-24-20(25-26-21)14-6-8-17(27-3)9-7-14/h4-10H,11H2,1-3H3,(H,24,25,26)