5-chloranyl-8-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline

Systemtic Name: 5-chloranyl-8-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 8-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-chloro-quinoline CAS Name: 5-chloro-8-[[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 8-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-chloroquinoline Traditional Name: 8-[[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-5-chloro-quinoline Formula: C22H19ClN4S MolecularWeight: 406.93106

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC4=C5C(=C(C=C4)Cl)C=CC=N5

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC4=C5C(=C(C=C4)Cl)C=CC=N5

InChI

InChI=1S/C22H19ClN4S/c23-19-11-10-17(20-18(19)7-4-12-24-20)14-28-22-26-25-21(16-8-9-16)27(22)13-15-5-2-1-3-6-15/h1-7,10-12,16H,8-9,13-14H2