N-(4-morpholin-4-ylphenyl)-2-[[5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-morpholin-4-ylphenyl)-2-[[5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-morpholinophenyl)acetamide CAS Name: N-[4-(4-morpholinyl)phenyl]-2-[[5-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-morpholin-4-ylphenyl)-2-[[5-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(6-ketocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]thio]-N-(4-morpholinophenyl)acetamide Formula: C23H25N5O3S MolecularWeight: 451.5413

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C2C=CC=CC2=O)NN=C1SCC(=O)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

C=CCN1C(=C2C=CC=CC2=O)NN=C1SCC(=O)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C23H25N5O3S/c1-2-11-28-22(19-5-3-4-6-20(19)29)25-26-23(28)32-16-21(30)24-17-7-9-18(10-8-17)27-12-14-31-15-13-27/h2-10,25H,1,11-16H2,(H,24,30)