(3R)-2-oxidanyl-4-phenyl-3-(phenylcarbamothioylamino)but-1-ene-1-diazonium

Systemtic Name: (3R)-2-oxidanyl-4-phenyl-3-(phenylcarbamothioylamino)but-1-ene-1-diazonium Openeye Name: (3R)-2-hydroxy-4-phenyl-3-(phenylcarbamothioylamino)but-1-ene-1-diazonium CAS Name: (3R)-3-[[anilino(sulfanylidene)methyl]amino]-2-hydroxy-4-phenyl-1-butene-1-diazonium IUPAC Name: (3R)-2-hydroxy-4-phenyl-3-(phenylcarbamothioylamino)but-1-ene-1-diazonium Traditional Name: (3R)-2-hydroxy-4-phenyl-3-(phenylthiocarbamoylamino)but-1-ene-1-diazonium Formula: C17H17N4OS+ MolecularWeight: 325.40808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=C[N+]#N)O)NC(=S)NC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=C[N+]#N)O)NC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C17H16N4OS/c18-19-12-16(22)15(11-13-7-3-1-4-8-13)21-17(23)20-14-9-5-2-6-10-14/h1-10,12,15H,11H2,(H2-,20,21,22,23)/p+1/t15-/m1/s1