N-(4-butan-2-ylphenyl)-2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-butan-2-ylphenyl)-2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(p-tolyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sec-butylphenyl)acetamide CAS Name: N-(4-butan-2-ylphenyl)-2-[[4-(4-methylphenyl)-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-butan-2-ylphenyl)-2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-(p-tolyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]thio]-N-(4-sec-butylphenyl)acetamide Formula: C25H26N6OS MolecularWeight: 458.57854

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C)C4=NC=CN=C4

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C)C4=NC=CN=C4

InChI

InChI=1S/C25H26N6OS/c1-4-18(3)19-7-9-20(10-8-19)28-23(32)16-33-25-30-29-24(22-15-26-13-14-27-22)31(25)21-11-5-17(2)6-12-21/h5-15,18H,4,16H2,1-3H3,(H,28,32)