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

Systemtic Name: N-cyclopropyl-2-[4-[(4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-[4-[[4-allyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazine-1,4-diium-1-yl]-N-cyclopropyl-acetamide CAS Name: N-cyclopropyl-2-[4-[[4-prop-2-enyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[(4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: 2-[4-[[4-allyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazine-1,4-diium-1-yl]-N-cyclopropyl-acetamide Formula: C20H29N7OS+2 MolecularWeight: 415.55556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N7OS/c1-2-8-26-19(16-4-3-7-21-13-16)23-27(20(26)29)15-25-11-9-24(10-12-25)14-18(28)22-17-5-6-17/h2-4,7,13,17H,1,5-6,8-12,14-15H2,(H,22,28)/p+2