3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(E)-cinnamyl]sulfanyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-[[(E)-3-phenylprop-2-enyl]thio]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[[(E)-cinnamyl]thio]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-yl]amine Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2N)SCC=CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2N)SC/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H22N4O3S/c1-25-16-12-15(13-17(26-2)18(16)27-3)19-22-23-20(24(19)21)28-11-7-10-14-8-5-4-6-9-14/h4-10,12-13H,11,21H2,1-3H3/b10-7+