[(1S)-2,3-dihydro-1H-inden-1-yl]-methyl-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium

Systemtic Name: [(1S)-2,3-dihydro-1H-inden-1-yl]-methyl-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: [(1S)-indan-1-yl]-methyl-[[4-propyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: [(1S)-2,3-dihydro-1H-inden-1-yl]-methyl-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: [(1S)-2,3-dihydro-1H-inden-1-yl]-methyl-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: [(1S)-indan-1-yl]-methyl-[[4-propyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C21H26N5S+ MolecularWeight: 380.52964

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN(C1=S)C[NH+](C)C2CCC3=CC=CC=C23)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN(C1=S)C[NH+](C)[C@H]2CCC3=CC=CC=C23)C4=CC=NC=C4

InChI

InChI=1S/C21H25N5S/c1-3-14-25-20(17-10-12-22-13-11-17)23-26(21(25)27)15-24(2)19-9-8-16-6-4-5-7-18(16)19/h4-7,10-13,19H,3,8-9,14-15H2,1-2H3/p+1/t19-/m0/s1