2-[[4-azanyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexylcarbamoyl)propanamide

Systemtic Name: 2-[[4-azanyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexylcarbamoyl)propanamide Openeye Name: 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexylcarbamoyl)propanamide CAS Name: 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-[(cyclohexylamino)-oxomethyl]propanamide IUPAC Name: 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexylcarbamoyl)propanamide Traditional Name: 2-[(4-amino-5-p-phenetyl-1,2,4-triazol-3-yl)thio]-N-(cyclohexylcarbamoyl)propionamide Formula: C20H28N6O3S MolecularWeight: 432.53972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SC(C)C(=O)NC(=O)NC3CCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SC(C)C(=O)NC(=O)NC3CCCCC3

InChI

InChI=1S/C20H28N6O3S/c1-3-29-16-11-9-14(10-12-16)17-24-25-20(26(17)21)30-13(2)18(27)23-19(28)22-15-7-5-4-6-8-15/h9-13,15H,3-8,21H2,1-2H3,(H2,22,23,27,28)