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

Systemtic Name: (4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: [4-cyclopropyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-[(4-isopropylphenyl)methyl]-methyl-ammonium CAS Name: (4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: (4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: [4-cyclopropyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-(4-isopropylbenzyl)-methyl-ammonium Formula: C22H28N5S+ MolecularWeight: 394.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+](C)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4CC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+](C)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4CC4

InChI

InChI=1S/C22H27N5S/c1-16(2)18-6-4-17(5-7-18)14-25(3)15-26-22(28)27(20-8-9-20)21(24-26)19-10-12-23-13-11-19/h4-7,10-13,16,20H,8-9,14-15H2,1-3H3/p+1