1-butyl-3-(2-methyl-5-nitro-phenyl)thiourea

Systemtic Name: 1-butyl-3-(2-methyl-5-nitro-phenyl)thiourea Openeye Name: 1-butyl-3-(2-methyl-5-nitro-phenyl)thiourea CAS Name: 1-butyl-3-(2-methyl-5-nitrophenyl)thiourea IUPAC Name: 1-butyl-3-(2-methyl-5-nitrophenyl)thiourea Traditional Name: 1-butyl-3-(2-methyl-5-nitro-phenyl)thiourea Formula: C12H17N3O2S MolecularWeight: 267.34728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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