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

Systemtic Name: cyclopentyl-cyclopropyl-[[4-(phenylmethyl)-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Openeye Name: [4-benzyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-cyclopentyl-cyclopropyl-ammonium CAS Name: cyclopentyl-cyclopropyl-[[4-(phenylmethyl)-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: (4-benzyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-cyclopentyl-cyclopropylazanium Traditional Name: [4-benzyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-cyclopentyl-cyclopropyl-ammonium Formula: C23H28N5S+ MolecularWeight: 406.56692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+](CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC4=CC=CC=C4)C5CC5

Isomeric SMILES

C1CCC(C1)[NH+](CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC4=CC=CC=C4)C5CC5

InChI

InChI=1S/C23H27N5S/c29-23-26(16-18-7-2-1-3-8-18)22(19-9-6-14-24-15-19)25-28(23)17-27(21-12-13-21)20-10-4-5-11-20/h1-3,6-9,14-15,20-21H,4-5,10-13,16-17H2/p+1