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

Systemtic Name: 5-cyclopropyl-2-(morpholin-4-ium-4-ylmethyl)-4-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-5-cyclopropyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-cyclopropyl-2-(4-morpholin-4-iumylmethyl)-4-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-5-cyclopropyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-5-cyclopropyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Formula: C17H23N4OS+ MolecularWeight: 331.45572

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=S)N2CC3=CC=CC=C3)C[NH+]4CCOCC4

Isomeric SMILES

C1CC1C2=NN(C(=S)N2CC3=CC=CC=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C17H22N4OS/c23-17-20(12-14-4-2-1-3-5-14)16(15-6-7-15)18-21(17)13-19-8-10-22-11-9-19/h1-5,15H,6-13H2/p+1