1-(2,5-dimethylphenyl)-3-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]thiourea

Systemtic Name: 1-(2,5-dimethylphenyl)-3-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]thiourea Openeye Name: 1-(2,5-dimethylphenyl)-3-[2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea CAS Name: 1-(2,5-dimethylphenyl)-3-[2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea IUPAC Name: 1-(2,5-dimethylphenyl)-3-[2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea Traditional Name: 1-(2,5-dimethylphenyl)-3-[2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C17H19N3O3S/c1-11-3-4-12(2)15(9-11)19-17(24)18-10-16(21)13-5-7-14(8-6-13)20(22)23/h3-9,16,21H,10H2,1-2H3,(H2,18,19,24)