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

Systemtic Name: N-butan-2-yl-4-[[4-(4-methoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide Openeye Name: 4-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-sec-butyl-butanamide CAS Name: N-butan-2-yl-4-[[4-(4-methoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: 4-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-butan-2-ylbutanamide Traditional Name: 4-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-sec-butyl-butyramide Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CCCSC1=NN=C(N1C2=CC=C(C=C2)OC)CC3=CC=CC=C3

Isomeric SMILES

CCC(C)NC(=O)CCCSC1=NN=C(N1C2=CC=C(C=C2)OC)CC3=CC=CC=C3

InChI

InChI=1S/C24H30N4O2S/c1-4-18(2)25-23(29)11-8-16-31-24-27-26-22(17-19-9-6-5-7-10-19)28(24)20-12-14-21(30-3)15-13-20/h5-7,9-10,12-15,18H,4,8,11,16-17H2,1-3H3,(H,25,29)