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

Systemtic Name: N-[5-[(3-chloranyl-4-methyl-phenyl)methyl]-1,3-thiazol-2-yl]-3-(4-nitroimidazol-1-yl)propanamide Openeye Name: N-[5-[(3-chloro-4-methyl-phenyl)methyl]thiazol-2-yl]-3-(4-nitroimidazol-1-yl)propanamide CAS Name: N-[5-[(3-chloro-4-methylphenyl)methyl]-2-thiazolyl]-3-(4-nitro-1-imidazolyl)propanamide IUPAC Name: N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(4-nitroimidazol-1-yl)propanamide Traditional Name: N-[5-(3-chloro-4-methyl-benzyl)thiazol-2-yl]-3-(4-nitroimidazol-1-yl)propionamide Formula: C17H16ClN5O3S MolecularWeight: 405.85864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2=CN=C(S2)NC(=O)CCN3C=C(N=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CC2=CN=C(S2)NC(=O)CCN3C=C(N=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H16ClN5O3S/c1-11-2-3-12(7-14(11)18)6-13-8-19-17(27-13)21-16(24)4-5-22-9-15(20-10-22)23(25)26/h2-3,7-10H,4-6H2,1H3,(H,19,21,24)