2-chloranyl-3-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-quinoline

Systemtic Name: 2-chloranyl-3-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-quinoline Openeye Name: 2-chloro-3-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-quinoline CAS Name: 2-chloro-3-[[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethylquinoline IUPAC Name: 2-chloro-3-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethylquinoline Traditional Name: 2-chloro-3-[[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-quinoline Formula: C20H23ClN4S MolecularWeight: 386.94142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NNC(=N3)CC4CCCC4)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NNC(=N3)CC4CCCC4)Cl)C

InChI

InChI=1S/C20H23ClN4S/c1-12-7-8-15-10-16(19(21)23-18(15)13(12)2)11-26-20-22-17(24-25-20)9-14-5-3-4-6-14/h7-8,10,14H,3-6,9,11H2,1-2H3,(H,22,24,25)