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

Systemtic Name: 1-[4-(hydroxymethyl)phenyl]-3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]thiourea Openeye Name: 1-[4-(hydroxymethyl)phenyl]-3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]thiourea CAS Name: 1-[4-(hydroxymethyl)phenyl]-3-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]thiourea IUPAC Name: 1-[4-(hydroxymethyl)phenyl]-3-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]thiourea Traditional Name: 1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-3-(4-methylolphenyl)thiourea Formula: C14H17N5O3S MolecularWeight: 335.38148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O3S/c1-10-16-8-13(19(21)22)18(10)7-6-15-14(23)17-12-4-2-11(9-20)3-5-12/h2-5,8,20H,6-7,9H2,1H3,(H2,15,17,23)