1-butyl-3-(4-methyl-3-nitro-phenyl)thiourea

Systemtic Name: 1-butyl-3-(4-methyl-3-nitro-phenyl)thiourea Openeye Name: 1-butyl-3-(4-methyl-3-nitro-phenyl)thiourea CAS Name: 1-butyl-3-(4-methyl-3-nitrophenyl)thiourea IUPAC Name: 1-butyl-3-(4-methyl-3-nitrophenyl)thiourea Traditional Name: 1-butyl-3-(4-methyl-3-nitro-phenyl)thiourea Formula: C12H17N3O2S MolecularWeight: 267.34728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC(=C(C=C1)C)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=S)NC1=CC(=C(C=C1)C)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O2S/c1-3-4-7-13-12(18)14-10-6-5-9(2)11(8-10)15(16)17/h5-6,8H,3-4,7H2,1-2H3,(H2,13,14,18)