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

Systemtic Name: 2-[[4-azanyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-butylphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-butylphenyl)acetamide CAS Name: 2-[[4-amino-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-butylphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-butylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-butylphenyl)acetamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H25N5O2S/c1-3-4-6-15-9-11-17(12-10-15)23-19(27)14-29-21-25-24-20(26(21)22)16-7-5-8-18(13-16)28-2/h5,7-13H,3-4,6,14,22H2,1-2H3,(H,23,27)