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

Systemtic Name: (4-cyclopropyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: [4-cyclopropyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-[(4-isopropylphenyl)methyl]-methyl-ammonium CAS Name: [4-cyclopropyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: (4-cyclopropyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: [4-cyclopropyl-3-(3-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=CN=CC=C3)C4CC4

Isomeric SMILES

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

InChI

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