N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-nitroimidazol-1-yl)propanamide

Systemtic Name: N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-nitroimidazol-1-yl)propanamide Openeye Name: N-[4-(4-bromophenyl)-5-methyl-thiazol-2-yl]-3-(4-nitroimidazol-1-yl)propanamide CAS Name: N-[4-(4-bromophenyl)-5-methyl-2-thiazolyl]-3-(4-nitro-1-imidazolyl)propanamide IUPAC Name: N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-nitroimidazol-1-yl)propanamide Traditional Name: N-[4-(4-bromophenyl)-5-methyl-thiazol-2-yl]-3-(4-nitroimidazol-1-yl)propionamide Formula: C16H14BrN5O3S MolecularWeight: 436.28306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=O)CCN2C=C(N=C2)[N+](=O)[O-])C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(N=C(S1)NC(=O)CCN2C=C(N=C2)[N+](=O)[O-])C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H14BrN5O3S/c1-10-15(11-2-4-12(17)5-3-11)20-16(26-10)19-14(23)6-7-21-8-13(18-9-21)22(24)25/h2-5,8-9H,6-7H2,1H3,(H,19,20,23)