methyl 2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate

Systemtic Name: methyl 2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate Openeye Name: methyl 2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate CAS Name: 2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate Traditional Name: 2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCN2CCC3=C(C2)C=C(C=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCCCN2CCC3=C(C2)C=C(C=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2S/c1-26-21(18-7-4-3-5-8-18)24-25-23(26)30-14-6-12-27-13-11-17-9-10-19(22(28)29-2)15-20(17)16-27/h3-5,7-10,15H,6,11-14,16H2,1-2H3