3-[[4,5-bis(chloranyl)imidazol-1-yl]methyl]benzenecarbothioamide

Systemtic Name: 3-[[4,5-bis(chloranyl)imidazol-1-yl]methyl]benzenecarbothioamide Openeye Name: 3-[(4,5-dichloroimidazol-1-yl)methyl]benzenecarbothioamide CAS Name: 3-[(4,5-dichloro-1-imidazolyl)methyl]benzenecarbothioamide IUPAC Name: 3-[(4,5-dichloroimidazol-1-yl)methyl]benzenecarbothioamide Traditional Name: 3-[(4,5-dichloroimidazol-1-yl)methyl]thiobenzamide Formula: C11H9Cl2N3S MolecularWeight: 286.18026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=NC(=C2Cl)Cl)C(=S)N

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=NC(=C2Cl)Cl)C(=S)N

InChI

InChI=1S/C11H9Cl2N3S/c12-9-10(13)16(6-15-9)5-7-2-1-3-8(4-7)11(14)17/h1-4,6H,5H2,(H2,14,17)