4-[[5-azanyl-1-[(E)-3-phenylprop-2-enoyl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[5-azanyl-1-[(E)-3-phenylprop-2-enoyl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide Openeye Name: 4-[[5-amino-1-[(E)-3-phenylprop-2-enoyl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide CAS Name: 4-[[5-amino-1-[(E)-1-oxo-3-phenylprop-2-enyl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide IUPAC Name: 4-[[5-amino-1-[(E)-3-phenylprop-2-enoyl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide Traditional Name: 4-[[5-amino-1-[(E)-3-phenylacryloyl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide Formula: C17H16N6O3S MolecularWeight: 384.41234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)N2C(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)N

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)N2C(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)N

InChI

InChI=1S/C17H16N6O3S/c18-16-21-17(20-13-7-9-14(10-8-13)27(19,25)26)22-23(16)15(24)11-6-12-4-2-1-3-5-12/h1-11H,(H2,19,25,26)(H3,18,20,21,22)/b11-6+