N-[2-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-4-methoxy-benzamide

Systemtic Name: N-[2-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-4-methoxy-benzamide Openeye Name: N-[2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-methoxy-benzamide CAS Name: N-[2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-4-methoxybenzamide IUPAC Name: N-[2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-methoxybenzamide Traditional Name: N-[2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]acetyl]-4-methoxy-benzamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25N5O3S/c1-22(2,3)16-9-5-14(6-10-16)19-25-26-21(27(19)23)31-13-18(28)24-20(29)15-7-11-17(30-4)12-8-15/h5-12H,13,23H2,1-4H3,(H,24,28,29)