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

Systemtic Name: 2-chloranyl-7,8-dimethyl-3-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 2-chloro-7,8-dimethyl-3-[[4-methyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline CAS Name: 2-chloro-7,8-dimethyl-3-[[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 2-chloro-7,8-dimethyl-3-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Traditional Name: 2-chloro-7,8-dimethyl-3-[[[4-methyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline Formula: C20H19ClN4S2 MolecularWeight: 414.97466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NN=C(N3C)CC4=CC=CS4)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NN=C(N3C)CC4=CC=CS4)Cl)C

InChI

InChI=1S/C20H19ClN4S2/c1-12-6-7-14-9-15(19(21)22-18(14)13(12)2)11-27-20-24-23-17(25(20)3)10-16-5-4-8-26-16/h4-9H,10-11H2,1-3H3