2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine

Systemtic Name: 2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-yl]amine Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C21H20N6OS/c1-3-12-27-20(15-9-5-7-11-17(15)28-2)25-26-21(27)29-13-18-23-16-10-6-4-8-14(16)19(22)24-18/h3-11H,1,12-13H2,2H3,(H2,22,23,24)