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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)SC2=NN=C(N2N)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)SC2=NN=C(N2N)C3=CC=C(C=C3)OC

InChI

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