1-(2-cyanoethyl)-1-methyl-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-(2-cyanoethyl)-1-methyl-3-(4-nitrophenyl)thiourea Openeye Name: 1-(2-cyanoethyl)-1-methyl-3-(4-nitrophenyl)thiourea CAS Name: 1-(2-cyanoethyl)-1-methyl-3-(4-nitrophenyl)thiourea IUPAC Name: 1-(2-cyanoethyl)-1-methyl-3-(4-nitrophenyl)thiourea Traditional Name: 1-(2-cyanoethyl)-1-methyl-3-(4-nitrophenyl)thiourea Formula: C11H12N4O2S MolecularWeight: 264.30358

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=S)NC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CN(CCC#N)C(=S)NC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O2S/c1-14(8-2-7-12)11(18)13-9-3-5-10(6-4-9)15(16)17/h3-6H,2,8H2,1H3,(H,13,18)