1-(2-ethylphenyl)-3-[(5-nitro-2-oxidanyl-phenyl)methyl]thiourea

Systemtic Name: 1-(2-ethylphenyl)-3-[(5-nitro-2-oxidanyl-phenyl)methyl]thiourea Openeye Name: 1-(2-ethylphenyl)-3-[(2-hydroxy-5-nitro-phenyl)methyl]thiourea CAS Name: 1-(2-ethylphenyl)-3-[(2-hydroxy-5-nitrophenyl)methyl]thiourea IUPAC Name: 1-(2-ethylphenyl)-3-[(2-hydroxy-5-nitrophenyl)methyl]thiourea Traditional Name: 1-(2-ethylphenyl)-3-(2-hydroxy-5-nitro-benzyl)thiourea Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H17N3O3S/c1-2-11-5-3-4-6-14(11)18-16(23)17-10-12-9-13(19(21)22)7-8-15(12)20/h3-9,20H,2,10H2,1H3,(H2,17,18,23)