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

Systemtic Name: 2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butylphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-butylphenyl)acetamide CAS Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-(4-butylphenyl)acetamide IUPAC Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(4-butylphenyl)acetamide Formula: C18H21N5OS2 MolecularWeight: 387.52224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=CS3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=CS3

InChI

InChI=1S/C18H21N5OS2/c1-2-3-5-13-7-9-14(10-8-13)20-16(24)12-26-18-22-21-17(23(18)19)15-6-4-11-25-15/h4,6-11H,2-3,5,12,19H2,1H3,(H,20,24)