2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-5-(phenylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-5-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-benzyl-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-(4-morpholin-4-iumylmethyl)-4-phenyl-5-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-benzyl-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-benzyl-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Formula: C20H23N4OS+ MolecularWeight: 367.48782

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CN2C(=S)N(C(=N2)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CN2C(=S)N(C(=N2)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H22N4OS/c26-20-23(16-22-11-13-25-14-12-22)21-19(15-17-7-3-1-4-8-17)24(20)18-9-5-2-6-10-18/h1-10H,11-16H2/p+1