3-[(2-methylimidazol-1-yl)methyl]benzenecarbothioamide

Systemtic Name: 3-[(2-methylimidazol-1-yl)methyl]benzenecarbothioamide Openeye Name: 3-[(2-methylimidazol-1-yl)methyl]benzenecarbothioamide CAS Name: 3-[(2-methyl-1-imidazolyl)methyl]benzenecarbothioamide IUPAC Name: 3-[(2-methylimidazol-1-yl)methyl]benzenecarbothioamide Traditional Name: 3-[(2-methylimidazol-1-yl)methyl]thiobenzamide Formula: C12H13N3S MolecularWeight: 231.31672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CC2=CC=CC(=C2)C(=S)N

Isomeric SMILES

CC1=NC=CN1CC2=CC=CC(=C2)C(=S)N

InChI

InChI=1S/C12H13N3S/c1-9-14-5-6-15(9)8-10-3-2-4-11(7-10)12(13)16/h2-7H,8H2,1H3,(H2,13,16)