methyl N'-(2-nitro-5-propylsulfanyl-phenyl)carbamimidothioate

Systemtic Name: methyl N'-(2-nitro-5-propylsulfanyl-phenyl)carbamimidothioate Openeye Name: 2-methyl-3-(2-nitro-5-propylsulfanyl-phenyl)isothiourea CAS Name: N'-[2-nitro-5-(propylthio)phenyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(2-nitro-5-propylsulfanylphenyl)carbamimidothioate Traditional Name: 2-methyl-3-[2-nitro-5-(propylthio)phenyl]isothiourea Formula: C11H15N3O2S2 MolecularWeight: 285.3857

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])N=C(N)SC

Isomeric SMILES

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])N=C(N)SC

InChI

InChI=1S/C11H15N3O2S2/c1-3-6-18-8-4-5-10(14(15)16)9(7-8)13-11(12)17-2/h4-5,7H,3,6H2,1-2H3,(H2,12,13)