6-tert-butyl-4-[(E)-(4-ethoxyphenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one hydrochloride

Systemtic Name: 6-tert-butyl-4-[(E)-(4-ethoxyphenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one hydrochloride Openeye Name: 6-tert-butyl-4-[(E)-(4-ethoxyphenyl)methyleneamino]-3-methylsulfanyl-1,2,4-triazin-5-one hydrochloride CAS Name: 6-tert-butyl-4-[(E)-(4-ethoxyphenyl)methylideneamino]-3-(methylthio)-1,2,4-triazin-5-one hydrochloride IUPAC Name: 6-tert-butyl-4-[(E)-(4-ethoxyphenyl)methylideneamino]-3-methylsulfanyl-1,2,4-triazin-5-one hydrochloride Traditional Name: 6-tert-butyl-4-[(E)-(4-ethoxybenzylidene)amino]-3-(methylthio)-1,2,4-triazin-5-one hydrochloride Formula: C17H23ClN4O2S MolecularWeight: 382.90812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=NN2C(=O)C(=NN=C2SC)C(C)(C)C.Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=N/N2C(=O)C(=NN=C2SC)C(C)(C)C.Cl

InChI

InChI=1S/C17H22N4O2S.ClH/c1-6-23-13-9-7-12(8-10-13)11-18-21-15(22)14(17(2,3)4)19-20-16(21)24-5;/h7-11H,6H2,1-5H3;1H/b18-11+;