methyl 4-[(4-prop-2-enyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(4-prop-2-enyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-allyl-5-(6-quinolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-prop-2-enyl-5-(6-quinolinyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-prop-2-enyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[[4-allyl-5-(6-quinolyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC4=C(C=C3)N=CC=C4

InChI

InChI=1S/C23H20N4O2S/c1-3-13-27-21(19-10-11-20-18(14-19)5-4-12-24-20)25-26-23(27)30-15-16-6-8-17(9-7-16)22(28)29-2/h3-12,14H,1,13,15H2,2H3