1-(4-chlorophenyl)-3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]thiourea

Systemtic Name: 1-(4-chlorophenyl)-3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]thiourea Openeye Name: 1-(4-chlorophenyl)-3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]thiourea CAS Name: 1-(4-chlorophenyl)-3-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]thiourea IUPAC Name: 1-(4-chlorophenyl)-3-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]thiourea Traditional Name: 1-(4-chlorophenyl)-3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]thiourea Formula: C13H14ClN5O2S MolecularWeight: 339.80056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCNC(=S)NC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCNC(=S)NC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H14ClN5O2S/c1-9-16-8-12(19(20)21)18(9)7-6-15-13(22)17-11-4-2-10(14)3-5-11/h2-5,8H,6-7H2,1H3,(H2,15,17,22)