2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]ethanamide

Systemtic Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]ethanamide Openeye Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]acetamide CAS Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-N-[(1-propyl-4-piperidin-1-iumylidene)amino]acetamide IUPAC Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]acetamide Traditional Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]acetamide Formula: C24H29N6OS+ MolecularWeight: 449.59166

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(=NNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4)CC1

Isomeric SMILES

CCC[NH+]1CCC(=NNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4)CC1

InChI

InChI=1S/C24H28N6OS/c1-2-15-29-16-13-20(14-17-29)25-26-22(31)18-32-24-28-27-23(19-9-5-3-6-10-19)30(24)21-11-7-4-8-12-21/h3-12H,2,13-18H2,1H3,(H,26,31)/p+1