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

Systemtic Name: 1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-3-phenyl-thiourea Openeye Name: 1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-3-phenyl-thiourea CAS Name: 1-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-3-phenylthiourea IUPAC Name: 1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-3-phenylthiourea Traditional Name: 1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-3-phenyl-thiourea Formula: C13H15N5O2S MolecularWeight: 305.3555

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O2S/c1-10-15-9-12(18(19)20)17(10)8-7-14-13(21)16-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,14,16,21)