(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone

Systemtic Name: (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone Openeye Name: (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone CAS Name: (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methanone IUPAC Name: (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone Traditional Name: (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methanone Formula: C21H20N4OS MolecularWeight: 376.4747

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

C1CN(CC=C1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C21H20N4OS/c26-20(25-12-10-18(11-13-25)17-4-2-1-3-5-17)19-8-6-16(7-9-19)14-27-21-22-15-23-24-21/h1-10,15H,11-14H2,(H,22,23,24)