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

Systemtic Name: N-(4-butylphenyl)-2-[(4-pyrrol-1-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-butylphenyl)-2-[[4-pyrrol-1-yl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-butylphenyl)-2-[[4-(1-pyrrolyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[(4-pyrrol-1-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-butylphenyl)-2-[[4-pyrrol-1-yl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H23N5OS2 MolecularWeight: 437.58092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)C4=CC=CS4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)C4=CC=CS4

InChI

InChI=1S/C22H23N5OS2/c1-2-3-7-17-9-11-18(12-10-17)23-20(28)16-30-22-25-24-21(19-8-6-15-29-19)27(22)26-13-4-5-14-26/h4-6,8-15H,2-3,7,16H2,1H3,(H,23,28)