N-(3-methylbutyl)-4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide

Systemtic Name: N-(3-methylbutyl)-4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide Openeye Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-isopentyl-butanamide CAS Name: N-(3-methylbutyl)-4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylbutyl)butanamide Traditional Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-isoamyl-butyramide Formula: C24H30N4OS MolecularWeight: 422.5862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CCCSC1=NN=C(N1C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CCNC(=O)CCCSC1=NN=C(N1C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C24H30N4OS/c1-19(2)15-16-25-23(29)14-9-17-30-24-27-26-22(18-20-10-5-3-6-11-20)28(24)21-12-7-4-8-13-21/h3-8,10-13,19H,9,14-18H2,1-2H3,(H,25,29)