N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-4-(4-pentylphenyl)benzamide

Systemtic Name: N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-4-(4-pentylphenyl)benzamide Openeye Name: N-[5-(o-tolyl)-1,3,4-thiadiazol-2-yl]-4-(4-pentylphenyl)benzamide CAS Name: N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-4-(4-pentylphenyl)benzamide IUPAC Name: N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-4-(4-pentylphenyl)benzamide Traditional Name: 4-(4-amylphenyl)-N-[5-(o-tolyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C27H27N3OS MolecularWeight: 441.58778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=NN=C(S3)C4=CC=CC=C4C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=NN=C(S3)C4=CC=CC=C4C

InChI

InChI=1S/C27H27N3OS/c1-3-4-5-9-20-11-13-21(14-12-20)22-15-17-23(18-16-22)25(31)28-27-30-29-26(32-27)24-10-7-6-8-19(24)2/h6-8,10-18H,3-5,9H2,1-2H3,(H,28,30,31)