6-tert-butyl-4-[[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methoxy-phenyl]methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one

Systemtic Name: 6-tert-butyl-4-[[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methoxy-phenyl]methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one Openeye Name: 6-tert-butyl-4-[[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methoxy-phenyl]methyleneamino]-3-methylsulfanyl-1,2,4-triazin-5-one CAS Name: 6-tert-butyl-4-[[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methoxyphenyl]methylideneamino]-3-(methylthio)-1,2,4-triazin-5-one IUPAC Name: 6-tert-butyl-4-[[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methoxyphenyl]methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one Traditional Name: 6-tert-butyl-4-[[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methoxy-benzylidene]amino]-3-(methylthio)-1,2,4-triazin-5-one Formula: C26H31N5O2S MolecularWeight: 477.62164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(N(C1=O)N=CC2=CC(=C(C=C2)OC)CN3CCC4=CC=CC=C4C3)SC

Isomeric SMILES

CC(C)(C)C1=NN=C(N(C1=O)N=CC2=CC(=C(C=C2)OC)CN3CCC4=CC=CC=C4C3)SC

InChI

InChI=1S/C26H31N5O2S/c1-26(2,3)23-24(32)31(25(34-5)29-28-23)27-15-18-10-11-22(33-4)21(14-18)17-30-13-12-19-8-6-7-9-20(19)16-30/h6-11,14-15H,12-13,16-17H2,1-5H3