(4-nitrophenyl)methyl N'-(3,4-dihydro-2H-pyrrol-5-ylamino)carbamimidothioate

Systemtic Name: (4-nitrophenyl)methyl N'-(3,4-dihydro-2H-pyrrol-5-ylamino)carbamimidothioate Openeye Name: 3-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-[(4-nitrophenyl)methyl]isothiourea CAS Name: N'-(3,4-dihydro-2H-pyrrol-5-ylamino)carbamimidothioic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N'-(3,4-dihydro-2H-pyrrol-5-ylamino)carbamimidothioate Traditional Name: 2-(4-nitrobenzyl)-3-(1-pyrrolin-2-ylamino)isothiourea Formula: C12H15N5O2S MolecularWeight: 293.3448

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NC1)NN=C(N)SCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CC(=NC1)N/N=C(/N)\SCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H15N5O2S/c13-12(16-15-11-2-1-7-14-11)20-8-9-3-5-10(6-4-9)17(18)19/h3-6H,1-2,7-8H2,(H2,13,16)(H,14,15)