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

Systemtic Name: 2-chloranyl-3-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 2-chloro-3-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline CAS Name: 2-chloro-3-[[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 2-chloro-3-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Traditional Name: 2-chloro-3-[[[5-(2-thenyl)-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:

C1=CC=C2C(=C1)C=C(C(=N2)Cl)CSC3=NNC(=N3)CC4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=N2)Cl)CSC3=NNC(=N3)CC4=CC=CS4

InChI

InChI=1S/C17H13ClN4S2/c18-16-12(8-11-4-1-2-6-14(11)19-16)10-24-17-20-15(21-22-17)9-13-5-3-7-23-13/h1-8H,9-10H2,(H,20,21,22)