N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-[4-(allylcarbamoylamino)phenyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-[4-[[oxo-(prop-2-enylamino)methyl]amino]phenyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-[4-(allylcarbamoylamino)phenyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C18H18N6O2S2 MolecularWeight: 414.50452

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC1=CC=C(C=C1)NC(=O)CN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

C=CCNC(=O)NC1=CC=C(C=C1)NC(=O)CN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C18H18N6O2S2/c1-2-9-19-17(26)21-13-7-5-12(6-8-13)20-15(25)11-24-16(22-23-18(24)27)14-4-3-10-28-14/h2-8,10H,1,9,11H2,(H,20,25)(H,23,27)(H2,19,21,26)