2-chloranyl-3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-quinoline

Systemtic Name: 2-chloranyl-3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-quinoline Openeye Name: 2-chloro-3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-quinoline CAS Name: 2-chloro-3-[[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]-7-methylquinoline IUPAC Name: 2-chloro-3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methylquinoline Traditional Name: 2-chloro-3-[[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]-7-methyl-quinoline Formula: C16H15ClN4S MolecularWeight: 330.8351

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)CSC3=NNC(=N3)C4CC4)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)CSC3=NNC(=N3)C4CC4)Cl

InChI

InChI=1S/C16H15ClN4S/c1-9-2-3-11-7-12(14(17)18-13(11)6-9)8-22-16-19-15(20-21-16)10-4-5-10/h2-3,6-7,10H,4-5,8H2,1H3,(H,19,20,21)