(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl) (1Z)-2-oxidanylidene-N-phenylazanyl-propanimidothioate

Systemtic Name: (5-phenethyl-4-phenyl-1,2,4-triazol-3-yl) (1Z)-2-oxidanylidene-N-phenylazanyl-propanimidothioate Openeye Name: (5-phenethyl-4-phenyl-1,2,4-triazol-3-yl) (1Z)-N-anilino-2-oxo-propanimidothioate CAS Name: (1Z)-N-anilino-2-oxopropanimidothioic acid (5-phenethyl-4-phenyl-1,2,4-triazol-3-yl) ester IUPAC Name: (5-phenethyl-4-phenyl-1,2,4-triazol-3-yl) (1Z)-N-anilino-2-oxopropanimidothioate Traditional Name: (1Z)-N-anilino-2-keto-thiopropionimidic acid (5-phenethyl-4-phenyl-1,2,4-triazol-3-yl) ester Formula: C25H23N5OS MolecularWeight: 441.54802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=NNC1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

CC(=O)/C(=N/NC1=CC=CC=C1)/SC2=NN=C(N2C3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H23N5OS/c1-19(31)24(28-26-21-13-7-3-8-14-21)32-25-29-27-23(18-17-20-11-5-2-6-12-20)30(25)22-15-9-4-10-16-22/h2-16,26H,17-18H2,1H3/b28-24-