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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC2=C(N=C3C(=C(C=CC3=C2)C)C)Cl

Isomeric SMILES

CCC1=NC(=NN1)SCC2=C(N=C3C(=C(C=CC3=C2)C)C)Cl

InChI

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