3-[phenyl-[5-phenyl-4-(1,2,4-triazol-1-yl)-1,2-oxazol-3-yl]amino]propane-1-thiol

Systemtic Name: 3-[phenyl-[5-phenyl-4-(1,2,4-triazol-1-yl)-1,2-oxazol-3-yl]amino]propane-1-thiol Openeye Name: 3-(N-[5-phenyl-4-(1,2,4-triazol-1-yl)isoxazol-3-yl]anilino)propane-1-thiol CAS Name: 3-(N-[5-phenyl-4-(1,2,4-triazol-1-yl)-3-isoxazolyl]anilino)-1-propanethiol IUPAC Name: 3-(N-[5-phenyl-4-(1,2,4-triazol-1-yl)-1,2-oxazol-3-yl]anilino)propane-1-thiol Traditional Name: 3-(N-[5-phenyl-4-(1,2,4-triazol-1-yl)isoxazol-3-yl]anilino)propane-1-thiol Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NO2)N(CCCS)C3=CC=CC=C3)N4C=NC=N4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NO2)N(CCCS)C3=CC=CC=C3)N4C=NC=N4

InChI

InChI=1S/C20H19N5OS/c27-13-7-12-24(17-10-5-2-6-11-17)20-18(25-15-21-14-22-25)19(26-23-20)16-8-3-1-4-9-16/h1-6,8-11,14-15,27H,7,12-13H2