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

Systemtic Name: 2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Openeye Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline CAS Name: 2-[[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline Traditional Name: 2-[[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline Formula: C20H17N5S MolecularWeight: 359.44748

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C=C2)C4=CN=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C=C2)C4=CN=CC=C4

InChI

InChI=1S/C20H17N5S/c1-2-12-25-19(16-7-5-11-21-13-16)23-24-20(25)26-14-17-10-9-15-6-3-4-8-18(15)22-17/h2-11,13H,1,12,14H2