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

Systemtic Name: 2-(2,6-ditert-butylpyran-4-ylidene)-3-(4-nitrophenyl)-5-phenyl-1,3,4-thiadiazole Openeye Name: 2-(2,6-ditert-butylpyran-4-ylidene)-3-(4-nitrophenyl)-5-phenyl-1,3,4-thiadiazole CAS Name: 2-(2,6-ditert-butyl-4-pyranylidene)-3-(4-nitrophenyl)-5-phenyl-1,3,4-thiadiazole IUPAC Name: 2-(2,6-ditert-butylpyran-4-ylidene)-3-(4-nitrophenyl)-5-phenyl-1,3,4-thiadiazole Traditional Name: 2-(2,6-ditert-butylpyran-4-ylidene)-3-(4-nitrophenyl)-5-phenyl-1,3,4-thiadiazole Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H29N3O3S/c1-26(2,3)22-16-19(17-23(33-22)27(4,5)6)25-29(20-12-14-21(15-13-20)30(31)32)28-24(34-25)18-10-8-7-9-11-18/h7-17H,1-6H3