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

Systemtic Name: 4-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]butanamide CAS Name: 4-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]butanamide Traditional Name: N-benzyl-4-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]butyramide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)OC)SCCCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)OC)SCCCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-16-23-24-21(25(16)18-10-12-19(27-2)13-11-18)28-14-6-9-20(26)22-15-17-7-4-3-5-8-17/h3-5,7-8,10-13H,6,9,14-15H2,1-2H3,(H,22,26)