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

Systemtic Name: 3-chloranyl-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-quinoline Openeye Name: 3-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-quinoline CAS Name: 3-chloro-2-[[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]methyl]-4-methylquinoline IUPAC Name: 3-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methylquinoline Traditional Name: 3-chloro-2-[[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]methyl]-4-methyl-quinoline Formula: C15H15ClN4S MolecularWeight: 318.8244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(N3C)C)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(N3C)C)Cl

InChI

InChI=1S/C15H15ClN4S/c1-9-11-6-4-5-7-12(11)17-13(14(9)16)8-21-15-19-18-10(2)20(15)3/h4-7H,8H2,1-3H3