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

Systemtic Name: 3-chloranyl-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-chloro-4-methyl-quinoline CAS Name: 3-chloro-2-[[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methylquinoline IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-chloro-4-methylquinoline Traditional Name: 2-[[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-3-chloro-4-methyl-quinoline Formula: C23H21ClN4S MolecularWeight: 420.95764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(N3CC4=CC=CC=C4)C5CC5)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(N3CC4=CC=CC=C4)C5CC5)Cl

InChI

InChI=1S/C23H21ClN4S/c1-15-18-9-5-6-10-19(18)25-20(21(15)24)14-29-23-27-26-22(17-11-12-17)28(23)13-16-7-3-2-4-8-16/h2-10,17H,11-14H2,1H3