N-cyclopropyl-2-[4-[(4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[(4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[(4-ethyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[(4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[(4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[(4-ethyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Formula: C20H30N6OS+2 MolecularWeight: 402.5568

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CC[NH+](CC2)CC(=O)NC3CC3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CC[NH+](CC2)CC(=O)NC3CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H28N6OS/c1-2-25-19(16-6-4-3-5-7-16)22-26(20(25)28)15-24-12-10-23(11-13-24)14-18(27)21-17-8-9-17/h3-7,17H,2,8-15H2,1H3,(H,21,27)/p+2