1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-tert-butyl-3-methylsulfanyl-1,2,4-triazinan-6-one

Systemtic Name: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-tert-butyl-3-methylsulfanyl-1,2,4-triazinan-6-one Openeye Name: 1-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-5-tert-butyl-3-methylsulfanyl-1,2,4-triazinan-6-one CAS Name: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-tert-butyl-3-(methylthio)-1,2,4-triazinan-6-one IUPAC Name: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-tert-butyl-3-methylsulfanyl-1,2,4-triazinan-6-one Traditional Name: 5-tert-butyl-3-(methylthio)-1-[(E)-piperonylideneamino]-1,2,4-triazinan-6-one Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C(=O)N(NC(N1)SC)N=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)C1C(=O)N(NC(N1)SC)/N=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H22N4O3S/c1-16(2,3)13-14(21)20(19-15(18-13)24-4)17-8-10-5-6-11-12(7-10)23-9-22-11/h5-8,13,15,18-19H,9H2,1-4H3/b17-8+