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

Systemtic Name: 2-chloranyl-3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxy-quinoline Openeye Name: 2-chloro-3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxy-quinoline CAS Name: 2-chloro-3-[[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]-7-methoxyquinoline IUPAC Name: 2-chloro-3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxyquinoline Traditional Name: 2-chloro-3-[[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]-7-methoxy-quinoline Formula: C16H15ClN4OS MolecularWeight: 346.8345

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)CSC3=NNC(=N3)C4CC4)Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)CSC3=NNC(=N3)C4CC4)Cl

InChI

InChI=1S/C16H15ClN4OS/c1-22-12-5-4-10-6-11(14(17)18-13(10)7-12)8-23-16-19-15(20-21-16)9-2-3-9/h4-7,9H,2-3,8H2,1H3,(H,19,20,21)