N-[(E)-1,3-benzodioxol-4-ylmethylideneamino]-3-methyl-2-methylsulfanyl-imidazole-4-carboxamide

Systemtic Name: N-[(E)-1,3-benzodioxol-4-ylmethylideneamino]-3-methyl-2-methylsulfanyl-imidazole-4-carboxamide Openeye Name: N-[(E)-1,3-benzodioxol-4-ylmethyleneamino]-3-methyl-2-methylsulfanyl-imidazole-4-carboxamide CAS Name: N-[(E)-1,3-benzodioxol-4-ylmethylideneamino]-3-methyl-2-(methylthio)-4-imidazolecarboxamide IUPAC Name: N-[(E)-1,3-benzodioxol-4-ylmethylideneamino]-3-methyl-2-methylsulfanylimidazole-4-carboxamide Traditional Name: N-[(E)-1,3-benzodioxol-4-ylmethyleneamino]-3-methyl-2-(methylthio)imidazole-4-carboxamide Formula: C14H14N4O3S MolecularWeight: 318.35096

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SC)C(=O)NN=CC2=C3C(=CC=C2)OCO3

Isomeric SMILES

CN1C(=CN=C1SC)C(=O)N/N=C/C2=C3C(=CC=C2)OCO3

InChI

InChI=1S/C14H14N4O3S/c1-18-10(7-15-14(18)22-2)13(19)17-16-6-9-4-3-5-11-12(9)21-8-20-11/h3-7H,8H2,1-2H3,(H,17,19)/b16-6+