S-(4-chloranyl-2-nitro-phenyl) 5-(propan-2-ylamino)-2-sulfanylidene-4H-imidazole-3-carbothioate

Systemtic Name: S-(4-chloranyl-2-nitro-phenyl) 5-(propan-2-ylamino)-2-sulfanylidene-4H-imidazole-3-carbothioate Openeye Name: S-(4-chloro-2-nitro-phenyl) 5-(isopropylamino)-2-thioxo-4H-imidazole-3-carbothioate CAS Name: 5-(propan-2-ylamino)-2-sulfanylidene-4H-imidazole-3-carbothioic acid S-(4-chloro-2-nitrophenyl) ester IUPAC Name: S-(4-chloro-2-nitrophenyl) 5-(propan-2-ylamino)-2-sulfanylidene-4H-imidazole-3-carbothioate Traditional Name: 4-(isopropylamino)-2-thioxo-3-imidazoline-1-carbothioic acid S-(4-chloro-2-nitro-phenyl) ester Formula: C13H13ClN4O3S2 MolecularWeight: 372.85032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC(=S)N(C1)C(=O)SC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=NC(=S)N(C1)C(=O)SC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H13ClN4O3S2/c1-7(2)15-11-6-17(12(22)16-11)13(19)23-10-4-3-8(14)5-9(10)18(20)21/h3-5,7H,6H2,1-2H3,(H,15,16,22)