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

Systemtic Name: 2-chloranyl-7,8-dimethyl-3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Openeye Name: 2-chloro-7,8-dimethyl-3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline CAS Name: 2-chloro-7,8-dimethyl-3-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]quinoline IUPAC Name: 2-chloro-7,8-dimethyl-3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Traditional Name: 2-chloro-7,8-dimethyl-3-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]quinoline Formula: C21H19ClN4S MolecularWeight: 394.92036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NN=C(N3C)C4=CC=CC=C4)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NN=C(N3C)C4=CC=CC=C4)Cl)C

InChI

InChI=1S/C21H19ClN4S/c1-13-9-10-16-11-17(19(22)23-18(16)14(13)2)12-27-21-25-24-20(26(21)3)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3