1-(1H-1,2,4-triazol-5-ylsulfanyl)-3-(triphenyl-$l^{5}-phosphanylidene)propan-2-one

Systemtic Name: 1-(1H-1,2,4-triazol-5-ylsulfanyl)-3-(triphenyl-$l^{5}-phosphanylidene)propan-2-one Openeye Name: 1-(1H-1,2,4-triazol-5-ylsulfanyl)-3-(triphenyl-$l^{5}-phosphanylidene)propan-2-one CAS Name: 1-(1H-1,2,4-triazol-5-ylthio)-3-triphenylphosphoranylidene-2-propanone IUPAC Name: 1-(1H-1,2,4-triazol-5-ylsulfanyl)-3-(triphenyl-$l^{5}-phosphanylidene)propan-2-one Traditional Name: 1-(1H-1,2,4-triazol-5-ylthio)-3-triphenylphosphoranylidene-acetone Formula: C23H20N3OPS MolecularWeight: 417.463161

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(=CC(=O)CSC2=NC=NN2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)P(=CC(=O)CSC2=NC=NN2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H20N3OPS/c27-19(17-29-23-24-18-25-26-23)16-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-16,18H,17H2,(H,24,25,26)