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

Systemtic Name: 2-chloranyl-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dimethyl-quinoline Openeye Name: 2-chloro-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dimethyl-quinoline CAS Name: 2-chloro-3-[[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]methyl]-7,8-dimethylquinoline IUPAC Name: 2-chloro-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dimethylquinoline Traditional Name: 2-chloro-3-[[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]methyl]-7,8-dimethyl-quinoline Formula: C16H17ClN4S MolecularWeight: 332.85098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NN=C(N3C)C)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NN=C(N3C)C)Cl)C

InChI

InChI=1S/C16H17ClN4S/c1-9-5-6-12-7-13(15(17)18-14(12)10(9)2)8-22-16-20-19-11(3)21(16)4/h5-7H,8H2,1-4H3