N-[5-(4-heptylphenyl)-1,3,4-thiadiazol-2-yl]-4-propyl-benzamide

Systemtic Name: N-[5-(4-heptylphenyl)-1,3,4-thiadiazol-2-yl]-4-propyl-benzamide Openeye Name: N-[5-(4-heptylphenyl)-1,3,4-thiadiazol-2-yl]-4-propyl-benzamide CAS Name: N-[5-(4-heptylphenyl)-1,3,4-thiadiazol-2-yl]-4-propylbenzamide IUPAC Name: N-[5-(4-heptylphenyl)-1,3,4-thiadiazol-2-yl]-4-propylbenzamide Traditional Name: N-[5-(4-heptylphenyl)-1,3,4-thiadiazol-2-yl]-4-propyl-benzamide Formula: C25H31N3OS MolecularWeight: 421.59814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)CCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)CCC

InChI

InChI=1S/C25H31N3OS/c1-3-5-6-7-8-10-20-13-17-22(18-14-20)24-27-28-25(30-24)26-23(29)21-15-11-19(9-4-2)12-16-21/h11-18H,3-10H2,1-2H3,(H,26,28,29)