3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methylsulfanyl-6-phenyl-2,4-dihydro-1,2,4-triazin-5-one

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methylsulfanyl-6-phenyl-2,4-dihydro-1,2,4-triazin-5-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methylsulfanyl-6-phenyl-2,4-dihydro-1,2,4-triazin-5-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(methylthio)-6-phenyl-2,4-dihydro-1,2,4-triazin-5-one IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methylsulfanyl-6-phenyl-2,4-dihydro-1,2,4-triazin-5-one Traditional Name: 3-(homoveratrylamino)-3-(methylthio)-6-phenyl-2,4-dihydro-1,2,4-triazin-5-one Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2(NC(=O)C(=NN2)C3=CC=CC=C3)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2(NC(=O)C(=NN2)C3=CC=CC=C3)SC)OC

InChI

InChI=1S/C20H24N4O3S/c1-26-16-10-9-14(13-17(16)27-2)11-12-21-20(28-3)22-19(25)18(23-24-20)15-7-5-4-6-8-15/h4-10,13,21,24H,11-12H2,1-3H3,(H,22,25)