3-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine

Systemtic Name: 3-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine Openeye Name: 3-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine CAS Name: 3-[[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]pyridine IUPAC Name: 3-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine Traditional Name: 3-[[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]pyridine Formula: C16H15N5S MolecularWeight: 309.3888

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CN=CC=C2)C3=CC=NC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CN=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C16H15N5S/c1-2-10-21-15(14-5-8-17-9-6-14)19-20-16(21)22-12-13-4-3-7-18-11-13/h2-9,11H,1,10,12H2