2-(morpholin-4-ium-4-ylmethyl)-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 2-(morpholin-4-ium-4-ylmethyl)-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 2-(morpholin-4-ium-4-ylmethyl)-4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazole-3-thione CAS Name: 2-(4-morpholin-4-iumylmethyl)-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 2-(morpholin-4-ium-4-ylmethyl)-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 2-(morpholin-4-ium-4-ylmethyl)-4-phenethyl-5-(2-thenyl)-1,2,4-triazole-3-thione Formula: C20H25N4OS2+ MolecularWeight: 401.5687

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CN2C(=S)N(C(=N2)CC3=CC=CS3)CCC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CN2C(=S)N(C(=N2)CC3=CC=CS3)CCC4=CC=CC=C4

InChI

InChI=1S/C20H24N4OS2/c26-20-23(9-8-17-5-2-1-3-6-17)19(15-18-7-4-14-27-18)21-24(20)16-22-10-12-25-13-11-22/h1-7,14H,8-13,15-16H2/p+1