3-(3-chloranyl-1-benzothiophen-2-yl)-4-(2-morpholin-4-ium-4-ylethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(3-chloranyl-1-benzothiophen-2-yl)-4-(2-morpholin-4-ium-4-ylethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(3-chlorobenzothiophen-2-yl)-4-(2-morpholin-4-ium-4-ylethyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(3-chloro-1-benzothiophen-2-yl)-4-[2-(4-morpholin-4-iumyl)ethyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(3-chloro-1-benzothiophen-2-yl)-4-(2-morpholin-4-ium-4-ylethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(3-chlorobenzothiophen-2-yl)-4-(2-morpholin-4-ium-4-ylethyl)-1H-1,2,4-triazole-5-thione Formula: C16H18ClN4OS2+ MolecularWeight: 381.92332

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C(=NNC2=S)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1COCC[NH+]1CCN2C(=NNC2=S)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C16H17ClN4OS2/c17-13-11-3-1-2-4-12(11)24-14(13)15-18-19-16(23)21(15)6-5-20-7-9-22-10-8-20/h1-4H,5-10H2,(H,19,23)/p+1