1-(2-cyanoethanoylamino)-3-(3-nitrophenyl)thiourea

Systemtic Name: 1-(2-cyanoethanoylamino)-3-(3-nitrophenyl)thiourea Openeye Name: 1-[(2-cyanoacetyl)amino]-3-(3-nitrophenyl)thiourea CAS Name: 1-[(2-cyano-1-oxoethyl)amino]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[(2-cyanoacetyl)amino]-3-(3-nitrophenyl)thiourea Traditional Name: 1-[(2-cyanoacetyl)amino]-3-(3-nitrophenyl)thiourea Formula: C10H9N5O3S MolecularWeight: 279.27516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NNC(=O)CC#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NNC(=O)CC#N

InChI

InChI=1S/C10H9N5O3S/c11-5-4-9(16)13-14-10(19)12-7-2-1-3-8(6-7)15(17)18/h1-3,6H,4H2,(H,13,16)(H2,12,14,19)