cyclopropyl-[[4-(phenylmethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: cyclopropyl-[[4-(phenylmethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: [4-benzyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-cyclopropyl-(4-pyridylmethyl)ammonium CAS Name: cyclopropyl-[[4-(phenylmethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: (4-benzyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-cyclopropyl-(pyridin-4-ylmethyl)azanium Traditional Name: [4-benzyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-cyclopropyl-(4-pyridylmethyl)ammonium Formula: C23H24N5S2+ MolecularWeight: 434.60016

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1[NH+](CC2=CC=NC=C2)CN3C(=S)N(C(=N3)C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1CC1[NH+](CC2=CC=NC=C2)CN3C(=S)N(C(=N3)C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C23H23N5S2/c29-23-27(16-18-5-2-1-3-6-18)22(21-7-4-14-30-21)25-28(23)17-26(20-8-9-20)15-19-10-12-24-13-11-19/h1-7,10-14,20H,8-9,15-17H2/p+1