2-(2,6-ditert-butylpyran-4-ylidene)-5-(4-methoxyphenyl)-3-(4-nitrophenyl)-1,3,4-thiadiazole

Systemtic Name: 2-(2,6-ditert-butylpyran-4-ylidene)-5-(4-methoxyphenyl)-3-(4-nitrophenyl)-1,3,4-thiadiazole Openeye Name: 2-(2,6-ditert-butylpyran-4-ylidene)-5-(4-methoxyphenyl)-3-(4-nitrophenyl)-1,3,4-thiadiazole CAS Name: 2-(2,6-ditert-butyl-4-pyranylidene)-5-(4-methoxyphenyl)-3-(4-nitrophenyl)-1,3,4-thiadiazole IUPAC Name: 2-(2,6-ditert-butylpyran-4-ylidene)-5-(4-methoxyphenyl)-3-(4-nitrophenyl)-1,3,4-thiadiazole Traditional Name: 2-(2,6-ditert-butylpyran-4-ylidene)-5-(4-methoxyphenyl)-3-(4-nitrophenyl)-1,3,4-thiadiazole Formula: C28H31N3O4S MolecularWeight: 505.62844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2N(N=C(S2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)[N+](=O)[O-])C=C(O1)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2N(N=C(S2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)[N+](=O)[O-])C=C(O1)C(C)(C)C

InChI

InChI=1S/C28H31N3O4S/c1-27(2,3)23-16-19(17-24(35-23)28(4,5)6)26-30(20-10-12-21(13-11-20)31(32)33)29-25(36-26)18-8-14-22(34-7)15-9-18/h8-17H,1-7H3