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

Systemtic Name: 2-chloranyl-7,8-dimethyl-3-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Openeye Name: 3-[(4-allyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-chloro-7,8-dimethyl-quinoline CAS Name: 2-chloro-7,8-dimethyl-3-[[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]quinoline IUPAC Name: 2-chloro-7,8-dimethyl-3-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Traditional Name: 3-[[(4-allyl-1,2,4-triazol-3-yl)thio]methyl]-2-chloro-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=NN=CN3CC=C)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NN=CN3CC=C)Cl)C

InChI

InChI=1S/C17H17ClN4S/c1-4-7-22-10-19-21-17(22)23-9-14-8-13-6-5-11(2)12(3)15(13)20-16(14)18/h4-6,8,10H,1,7,9H2,2-3H3