[4-[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] (E)-but-2-enoate

Systemtic Name: [4-[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] (E)-but-2-enoate Openeye Name: [4-[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [4-[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] ester IUPAC Name: [4-[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [4-[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl] ester Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C=CC

Isomeric SMILES

CCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)/C=C/C

InChI

InChI=1S/C25H28N2O2S/c1-3-5-6-7-8-10-23-26-27-25(30-23)21-13-11-19(12-14-21)20-15-17-22(18-16-20)29-24(28)9-4-2/h4,9,11-18H,3,5-8,10H2,1-2H3/b9-4+