3-chloranyl-4-methyl-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(N3C)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(N3C)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H19ClN4S/c1-14-16-10-6-7-11-17(16)23-18(20(14)22)13-27-21-25-24-19(26(21)2)12-15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3