4-(2-azanylethyl)-3-[6-oxidanyl-7-(phenylmethyl)-3,4-dihydro-2H-chromen-3-yl]-1H-imidazole-2-thione hydrochloride

Systemtic Name: 4-(2-azanylethyl)-3-[6-oxidanyl-7-(phenylmethyl)-3,4-dihydro-2H-chromen-3-yl]-1H-imidazole-2-thione hydrochloride Openeye Name: 4-(2-aminoethyl)-3-(7-benzyl-6-hydroxy-chroman-3-yl)-1H-imidazole-2-thione hydrochloride CAS Name: 4-(2-aminoethyl)-3-[6-hydroxy-7-(phenylmethyl)-3,4-dihydro-2H-1-benzopyran-3-yl]-1H-imidazole-2-thione hydrochloride IUPAC Name: 4-(2-aminoethyl)-3-(7-benzyl-6-hydroxy-3,4-dihydro-2H-chromen-3-yl)-1H-imidazole-2-thione hydrochloride Traditional Name: 5-(2-aminoethyl)-1-(7-benzyl-6-hydroxy-chroman-3-yl)-4-imidazoline-2-thione hydrochloride Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=CC(=C(C=C21)O)CC3=CC=CC=C3)N4C(=CNC4=S)CCN.Cl

Isomeric SMILES

C1C(COC2=CC(=C(C=C21)O)CC3=CC=CC=C3)N4C(=CNC4=S)CCN.Cl

InChI

InChI=1S/C21H23N3O2S.ClH/c22-7-6-17-12-23-21(27)24(17)18-9-16-10-19(25)15(11-20(16)26-13-18)8-14-4-2-1-3-5-14;/h1-5,10-12,18,25H,6-9,13,22H2,(H,23,27);1H