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

Systemtic Name: 3-chloranyl-4-methyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Openeye Name: 3-chloro-4-methyl-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline CAS Name: 3-chloro-4-methyl-2-[[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]quinoline IUPAC Name: 3-chloro-4-methyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Traditional Name: 3-chloro-4-methyl-2-[[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]methyl]quinoline Formula: C17H13ClN4S2 MolecularWeight: 372.89492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NNC(=N3)C4=CC=CS4)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NNC(=N3)C4=CC=CS4)Cl

InChI

InChI=1S/C17H13ClN4S2/c1-10-11-5-2-3-6-12(11)19-13(15(10)18)9-24-17-20-16(21-22-17)14-7-4-8-23-14/h2-8H,9H2,1H3,(H,20,21,22)