(4-nitrophenyl)methyl N'-(2-sulfanylethyl)carbamimidate

Systemtic Name: (4-nitrophenyl)methyl N'-(2-sulfanylethyl)carbamimidate Openeye Name: 2-[(4-nitrophenyl)methyl]-3-(2-sulfanylethyl)isourea CAS Name: N'-(2-mercaptoethyl)carbamimidic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N'-(2-sulfanylethyl)carbamimidate Traditional Name: 3-(2-mercaptoethyl)-2-(4-nitrobenzyl)isourea Formula: C10H13N3O3S MolecularWeight: 255.29352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=NCCS)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=NCCS)N)[N+](=O)[O-]

InChI

InChI=1S/C10H13N3O3S/c11-10(12-5-6-17)16-7-8-1-3-9(4-2-8)13(14)15/h1-4,17H,5-7H2,(H2,11,12)