1-[8-(4-ethylphenyl)-2-(3-nitrophenyl)-10-phenyl-4-thia-1,9,10-triaza-2-azoniaspiro[4.5]deca-2,8-dien-3-yl]ethanone

Systemtic Name: 1-[8-(4-ethylphenyl)-2-(3-nitrophenyl)-10-phenyl-4-thia-1,9,10-triaza-2-azoniaspiro[4.5]deca-2,8-dien-3-yl]ethanone Openeye Name: 1-[8-(4-ethylphenyl)-2-(3-nitrophenyl)-10-phenyl-4-thia-1,9,10-triaza-2-azoniaspiro[4.5]deca-2,8-dien-3-yl]ethanone CAS Name: 1-[8-(4-ethylphenyl)-2-(3-nitrophenyl)-10-phenyl-4-thia-1,9,10-triaza-2-azoniaspiro[4.5]deca-2,8-dien-3-yl]ethanone IUPAC Name: 1-[8-(4-ethylphenyl)-2-(3-nitrophenyl)-10-phenyl-4-thia-1,9,10-triaza-2-azoniaspiro[4.5]deca-2,8-dien-3-yl]ethanone Traditional Name: 1-[8-(4-ethylphenyl)-2-(3-nitrophenyl)-10-phenyl-4-thia-1,9,10-triaza-2-azoniaspiro[4.5]deca-2,8-dien-3-yl]ethanone Formula: C27H26N5O3S+ MolecularWeight: 500.59204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C3(CC2)N[N+](=C(S3)C(=O)C)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C3(CC2)N[N+](=C(S3)C(=O)C)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C27H25N5O3S/c1-3-20-12-14-21(15-13-20)25-16-17-27(31(28-25)22-8-5-4-6-9-22)29-30(26(36-27)19(2)33)23-10-7-11-24(18-23)32(34)35/h4-15,18H,3,16-17H2,1-2H3/p+1