2-[[4-azanyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-butan-2-ylphenyl)propanamide

Systemtic Name: 2-[[4-azanyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-butan-2-ylphenyl)propanamide Openeye Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-sec-butylphenyl)propanamide CAS Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-butan-2-ylphenyl)propanamide IUPAC Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-butan-2-ylphenyl)propanamide Traditional Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-sec-butylphenyl)propionamide Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2N)C3=CC=CC=C3OC

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2N)C3=CC=CC=C3OC

InChI

InChI=1S/C22H27N5O2S/c1-5-14(2)16-10-6-8-12-18(16)24-21(28)15(3)30-22-26-25-20(27(22)23)17-11-7-9-13-19(17)29-4/h6-15H,5,23H2,1-4H3,(H,24,28)