N-(2-ethylphenyl)-2-[4-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]ethanamide Openeye Name: 2-[4-[(4-allyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]acetamide Traditional Name: 2-[4-[(4-allyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazino]-N-(2-ethylphenyl)acetamide Formula: C20H28N6OS MolecularWeight: 400.54092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)CN3C(=S)N(C=N3)CC=C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)CN3C(=S)N(C=N3)CC=C

InChI

InChI=1S/C20H28N6OS/c1-3-9-25-15-21-26(20(25)28)16-24-12-10-23(11-13-24)14-19(27)22-18-8-6-5-7-17(18)4-2/h3,5-8,15H,1,4,9-14,16H2,2H3,(H,22,27)