6-chloranyl-2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 6-chloranyl-2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 6-chloro-2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline CAS Name: 6-chloro-2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 6-chloro-2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 6-chloro-2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propyl]-3,4-dihydro-1H-isoquinoline Formula: C21H23ClN4S MolecularWeight: 398.95212

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCN2CCC3=C(C2)C=CC(=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCCCN2CCC3=C(C2)C=CC(=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H23ClN4S/c1-25-20(16-6-3-2-4-7-16)23-24-21(25)27-13-5-11-26-12-10-17-14-19(22)9-8-18(17)15-26/h2-4,6-9,14H,5,10-13,15H2,1H3