6-[5-(phenylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]quinoline

Systemtic Name: 6-[5-(phenylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]quinoline Openeye Name: 6-(4-allyl-5-benzylsulfanyl-1,2,4-triazol-3-yl)quinoline CAS Name: 6-[5-(phenylmethylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]quinoline IUPAC Name: 6-(5-benzylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)quinoline Traditional Name: 6-[4-allyl-5-(benzylthio)-1,2,4-triazol-3-yl]quinoline Formula: C21H18N4S MolecularWeight: 358.45942

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC=C2)C3=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC=C2)C3=CC4=C(C=C3)N=CC=C4

InChI

InChI=1S/C21H18N4S/c1-2-13-25-20(18-10-11-19-17(14-18)9-6-12-22-19)23-24-21(25)26-15-16-7-4-3-5-8-16/h2-12,14H,1,13,15H2