3-phenyl-2-sulfanylidene-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-imidazole-4-carboxamide

Systemtic Name: 3-phenyl-2-sulfanylidene-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-imidazole-4-carboxamide Openeye Name: 3-phenyl-2-thioxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-imidazole-4-carboxamide CAS Name: N-[4-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]phenyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide IUPAC Name: 3-phenyl-2-sulfanylidene-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1H-imidazole-4-carboxamide Traditional Name: 3-phenyl-2-thioxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-4-imidazoline-4-carboxamide Formula: C21H19N7O2S MolecularWeight: 433.48626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=CNC(=S)N2C3=CC=CC=C3)N4C=NC=N4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=CNC(=S)N2C3=CC=CC=C3)N4C=NC=N4

InChI

InChI=1S/C21H19N7O2S/c1-14(27-13-22-12-24-27)19(29)25-15-7-9-16(10-8-15)26-20(30)18-11-23-21(31)28(18)17-5-3-2-4-6-17/h2-14H,1H3,(H,23,31)(H,25,29)(H,26,30)