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

Systemtic Name: 4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one Openeye Name: 4-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one CAS Name: 4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-tert-butyl-3-(methylthio)-1,2,4-triazin-5-one IUPAC Name: 4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one Traditional Name: 6-tert-butyl-3-(methylthio)-4-[(E)-piperonylideneamino]-1,2,4-triazin-5-one Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(N(C1=O)N=CC2=CC3=C(C=C2)OCO3)SC

Isomeric SMILES

CC(C)(C)C1=NN=C(N(C1=O)/N=C/C2=CC3=C(C=C2)OCO3)SC

InChI

InChI=1S/C16H18N4O3S/c1-16(2,3)13-14(21)20(15(24-4)19-18-13)17-8-10-5-6-11-12(7-10)23-9-22-11/h5-8H,9H2,1-4H3/b17-8+