4-butoxy-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: 4-butoxy-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]benzamide Openeye Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-4-butoxy-benzamide CAS Name: 4-butoxy-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]benzamide IUPAC Name: 4-butoxy-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]benzamide Traditional Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-4-butoxy-benzamide Formula: C20H23N5O2S2 MolecularWeight: 429.55892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=NC(=C(S2)C3=NNC(=S)N3CC=C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=NC(=C(S2)C3=NNC(=S)N3CC=C)C

InChI

InChI=1S/C20H23N5O2S2/c1-4-6-12-27-15-9-7-14(8-10-15)18(26)22-19-21-13(3)16(29-19)17-23-24-20(28)25(17)11-5-2/h5,7-10H,2,4,6,11-12H2,1,3H3,(H,24,28)(H,21,22,26)