N-(3,4-dimethylphenyl)-4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide

Systemtic Name: N-(3,4-dimethylphenyl)-4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide Openeye Name: N-(3,4-dimethylphenyl)-4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide CAS Name: N-(3,4-dimethylphenyl)-4-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]butanamide IUPAC Name: N-(3,4-dimethylphenyl)-4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide Traditional Name: N-(3,4-dimethylphenyl)-4-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]butyramide Formula: C26H26N4OS MolecularWeight: 442.57584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C26H26N4OS/c1-19-15-16-22(18-20(19)2)27-24(31)14-9-17-32-26-29-28-25(21-10-5-3-6-11-21)30(26)23-12-7-4-8-13-23/h3-8,10-13,15-16,18H,9,14,17H2,1-2H3,(H,27,31)