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

Systemtic Name: 3-chloranyl-4-methyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Openeye Name: 3-chloro-2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-quinoline CAS Name: 3-chloro-4-methyl-2-[[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]quinoline IUPAC Name: 3-chloro-4-methyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Traditional Name: 3-chloro-2-[[(4-isopropyl-1,2,4-triazol-3-yl)thio]methyl]-4-methyl-quinoline Formula: C16H17ClN4S MolecularWeight: 332.85098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=CN3C(C)C)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=CN3C(C)C)Cl

InChI

InChI=1S/C16H17ClN4S/c1-10(2)21-9-18-20-16(21)22-8-14-15(17)11(3)12-6-4-5-7-13(12)19-14/h4-7,9-10H,8H2,1-3H3