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

Systemtic Name: 2-chloranyl-7,8-dimethyl-3-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Openeye Name: 2-chloro-7,8-dimethyl-3-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline CAS Name: 2-chloro-7,8-dimethyl-3-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]quinoline IUPAC Name: 2-chloro-7,8-dimethyl-3-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Traditional Name: 2-chloro-7,8-dimethyl-3-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]quinoline Formula: C17H19ClN4S MolecularWeight: 346.87756

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC2=C(N=C3C(=C(C=CC3=C2)C)C)Cl

Isomeric SMILES

CCCC1=NC(=NN1)SCC2=C(N=C3C(=C(C=CC3=C2)C)C)Cl

InChI

InChI=1S/C17H19ClN4S/c1-4-5-14-19-17(22-21-14)23-9-13-8-12-7-6-10(2)11(3)15(12)20-16(13)18/h6-8H,4-5,9H2,1-3H3,(H,19,21,22)