methyl N'-ethanoyl-N-(2-nitrophenyl)carbamimidothioate; propan-2-ol

Systemtic Name: methyl N'-ethanoyl-N-(2-nitrophenyl)carbamimidothioate; propan-2-ol Openeye Name: N-[methylsulfanyl-(2-nitroanilino)methylene]acetamide; propan-2-ol CAS Name: N'-acetyl-N-(2-nitrophenyl)carbamimidothioic acid methyl ester; 2-propanol IUPAC Name: methyl N'-acetyl-N-(2-nitrophenyl)carbamimidothioate; propan-2-ol Traditional Name: N-[(methylthio)-(2-nitroanilino)methylene]acetamide; propan-2-ol Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)O.CC(=O)N=C(NC1=CC=CC=C1[N+](=O)[O-])SC

Isomeric SMILES

CC(C)O.CC(=O)N=C(NC1=CC=CC=C1[N+](=O)[O-])SC

InChI

InChI=1S/C10H11N3O3S.C3H8O/c1-7(14)11-10(17-2)12-8-5-3-4-6-9(8)13(15)16;1-3(2)4/h3-6H,1-2H3,(H,11,12,14);3-4H,1-2H3