N-[3-(imidazol-1-ylmethyl)phenyl]pyridine-2-carbothioamide hydrate dihydrochloride

Systemtic Name: N-[3-(imidazol-1-ylmethyl)phenyl]pyridine-2-carbothioamide hydrate dihydrochloride Openeye Name: N-[3-(imidazol-1-ylmethyl)phenyl]pyridine-2-carbothioamide hydrate dihydrochloride CAS Name: N-[3-(1-imidazolylmethyl)phenyl]-2-pyridinecarbothioamide hydrate dihydrochloride IUPAC Name: N-[3-(imidazol-1-ylmethyl)phenyl]pyridine-2-carbothioamide hydrate dihydrochloride Traditional Name: N-[3-(imidazol-1-ylmethyl)phenyl]thiopicolinamide hydrate dihydrochloride Formula: C16H18Cl2N4OS MolecularWeight: 385.31132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C(=S)NC2=CC=CC(=C2)CN3C=CN=C3.O.Cl.Cl

Isomeric SMILES

C1=CC=NC(=C1)C(=S)NC2=CC=CC(=C2)CN3C=CN=C3.O.Cl.Cl

InChI

InChI=1S/C16H14N4S.2ClH.H2O/c21-16(15-6-1-2-7-18-15)19-14-5-3-4-13(10-14)11-20-9-8-17-12-20;;;/h1-10,12H,11H2,(H,19,21);2*1H;1H2