1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[(5Z)-5-(3-indolylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C27H23N5OS MolecularWeight: 465.56942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NNC(=C4C=NC5=CC=CC=C54)N3C6=CC=CC=C6

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NN/C(=C/4\C=NC5=CC=CC=C54)/N3C6=CC=CC=C6

InChI

InChI=1S/C27H23N5OS/c33-25(31-15-14-19-8-4-5-9-20(19)17-31)18-34-27-30-29-26(32(27)21-10-2-1-3-11-21)23-16-28-24-13-7-6-12-22(23)24/h1-13,16,29H,14-15,17-18H2/b26-23-