N-(4-propan-2-ylphenyl)-2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-propan-2-ylphenyl)-2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-isopropylphenyl)-2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-propan-2-ylphenyl)-2-[[5-propyl-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-propan-2-ylphenyl)-2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-p-cumenyl-2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1N2C=CC=C2)SCC(=O)NC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCCC1=NN=C(N1N2C=CC=C2)SCC(=O)NC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C20H25N5OS/c1-4-7-18-22-23-20(25(18)24-12-5-6-13-24)27-14-19(26)21-17-10-8-16(9-11-17)15(2)3/h5-6,8-13,15H,4,7,14H2,1-3H3,(H,21,26)