3,4-dihydro-1H-isoquinolin-2-yl-[2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-4-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-4-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiazol-4-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-[[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-4-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-[[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]thiazol-4-yl]methanone Formula: C27H22N6OS2 MolecularWeight: 510.63318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CSC(=N3)CSC4=NN=C(N4C5=CC=CC=C5)C6=CN=CC=C6

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CSC(=N3)CSC4=NN=C(N4C5=CC=CC=C5)C6=CN=CC=C6

InChI

InChI=1S/C27H22N6OS2/c34-26(32-14-12-19-7-4-5-8-21(19)16-32)23-17-35-24(29-23)18-36-27-31-30-25(20-9-6-13-28-15-20)33(27)22-10-2-1-3-11-22/h1-11,13,15,17H,12,14,16,18H2