2-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[cyclopropyl-(4-fluorobenzyl)amino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C21H22FN5S MolecularWeight: 395.496283

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)CN(CC2=CC=C(C=C2)F)C3CC3)C4=CN=CC=C4

Isomeric SMILES

C=CCN1C(=NN(C1=S)CN(CC2=CC=C(C=C2)F)C3CC3)C4=CN=CC=C4

InChI

InChI=1S/C21H22FN5S/c1-2-12-26-20(17-4-3-11-23-13-17)24-27(21(26)28)15-25(19-9-10-19)14-16-5-7-18(22)8-6-16/h2-8,11,13,19H,1,9-10,12,14-15H2