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

Systemtic Name: 2-chloranyl-3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dimethyl-quinoline Openeye Name: 2-chloro-3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dimethyl-quinoline CAS Name: 2-chloro-3-[[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]-7,8-dimethylquinoline IUPAC Name: 2-chloro-3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dimethylquinoline Traditional Name: 2-chloro-3-[[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]-7,8-dimethyl-quinoline Formula: C17H17ClN4S MolecularWeight: 344.86168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NNC(=N3)C4CC4)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NNC(=N3)C4CC4)Cl)C

InChI

InChI=1S/C17H17ClN4S/c1-9-3-4-12-7-13(15(18)19-14(12)10(9)2)8-23-17-20-16(21-22-17)11-5-6-11/h3-4,7,11H,5-6,8H2,1-2H3,(H,20,21,22)