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

Systemtic Name: (diphenylmethyl)-methyl-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: benzhydryl-methyl-[[4-propyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: (diphenylmethyl)-methyl-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: benzhydryl-methyl-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: benzhydryl-methyl-[[4-propyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C25H28N5S+ MolecularWeight: 430.58832

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN(C1=S)C[NH+](C)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN(C1=S)C[NH+](C)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C25H27N5S/c1-3-18-29-24(22-14-16-26-17-15-22)27-30(25(29)31)19-28(2)23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,23H,3,18-19H2,1-2H3/p+1