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

Systemtic Name: 2-[[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[allyl-[(5-chloro-2-thienyl)methyl]amino]methyl]-4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[allyl-[(5-chloro-2-thienyl)methyl]amino]methyl]-4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C17H18ClN5S2 MolecularWeight: 391.94132

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN(CC=C)CC2=CC=C(S2)Cl)C3=CC=NC=C3

Isomeric SMILES

CN1C(=NN(C1=S)CN(CC=C)CC2=CC=C(S2)Cl)C3=CC=NC=C3

InChI

InChI=1S/C17H18ClN5S2/c1-3-10-22(11-14-4-5-15(18)25-14)12-23-17(24)21(2)16(20-23)13-6-8-19-9-7-13/h3-9H,1,10-12H2,2H3