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

Systemtic Name: methyl-(phenylmethyl)-[[4-(phenylmethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Openeye Name: benzyl-[[4-benzyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: methyl-(phenylmethyl)-[[4-(phenylmethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: benzyl-[(4-benzyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: benzyl-[[4-benzyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C23H24N5S+ MolecularWeight: 402.53516

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H23N5S/c1-26(16-19-8-4-2-5-9-19)18-28-23(29)27(17-20-10-6-3-7-11-20)22(25-28)21-12-14-24-15-13-21/h2-15H,16-18H2,1H3/p+1