2-ethyl-3-methyl-4-(3-methylthiophen-2-yl)-4,5-dihydro-1,3-benzodiazepine hydrate hydrochloride

Systemtic Name: 2-ethyl-3-methyl-4-(3-methylthiophen-2-yl)-4,5-dihydro-1,3-benzodiazepine hydrate hydrochloride Openeye Name: 2-ethyl-3-methyl-4-(3-methyl-2-thienyl)-4,5-dihydro-1,3-benzodiazepine hydrate hydrochloride CAS Name: 2-ethyl-3-methyl-4-(3-methyl-2-thiophenyl)-4,5-dihydro-1,3-benzodiazepine hydrate hydrochloride IUPAC Name: 2-ethyl-3-methyl-4-(3-methylthiophen-2-yl)-4,5-dihydro-1,3-benzodiazepine hydrate hydrochloride Traditional Name: 2-ethyl-3-methyl-4-(3-methyl-2-thienyl)-4,5-dihydro-1,3-benzodiazepine hydrate hydrochloride Formula: C17H23ClN2OS MolecularWeight: 338.89532

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2CC(N1C)C3=C(C=CS3)C.O.Cl

Isomeric SMILES

CCC1=NC2=CC=CC=C2CC(N1C)C3=C(C=CS3)C.O.Cl

InChI

InChI=1S/C17H20N2S.ClH.H2O/c1-4-16-18-14-8-6-5-7-13(14)11-15(19(16)3)17-12(2)9-10-20-17;;/h5-10,15H,4,11H2,1-3H3;1H;1H2