N-(4-ethylphenyl)-2-[[5-(phenylmethyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-ethylphenyl)-2-[[5-(phenylmethyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethylphenyl)acetamide CAS Name: N-(4-ethylphenyl)-2-[[5-(phenylmethyl)-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethylphenyl)acetamide Traditional Name: 2-[(5-benzyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]-N-(4-ethylphenyl)acetamide Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H23N5OS/c1-2-18-10-12-20(13-11-18)24-22(29)17-30-23-26-25-21(16-19-8-4-3-5-9-19)28(23)27-14-6-7-15-27/h3-15H,2,16-17H2,1H3,(H,24,29)