2-(4-heptylphenyl)-5-(4-nitrophenyl)-1,3,4-thiadiazole

Systemtic Name: 2-(4-heptylphenyl)-5-(4-nitrophenyl)-1,3,4-thiadiazole Openeye Name: 2-(4-heptylphenyl)-5-(4-nitrophenyl)-1,3,4-thiadiazole CAS Name: 2-(4-heptylphenyl)-5-(4-nitrophenyl)-1,3,4-thiadiazole IUPAC Name: 2-(4-heptylphenyl)-5-(4-nitrophenyl)-1,3,4-thiadiazole Traditional Name: 2-(4-heptylphenyl)-5-(4-nitrophenyl)-1,3,4-thiadiazole Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O2S/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)20-22-23-21(27-20)18-12-14-19(15-13-18)24(25)26/h8-15H,2-7H2,1H3