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

Systemtic Name: 2-[(4-azanyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butylphenyl)ethanamide Openeye Name: 2-[(4-amino-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butylphenyl)acetamide CAS Name: 2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)thio]-N-(4-butylphenyl)acetamide IUPAC Name: 2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butylphenyl)acetamide Traditional Name: 2-[(4-amino-5-isopropyl-1,2,4-triazol-3-yl)thio]-N-(4-butylphenyl)acetamide Formula: C17H25N5OS MolecularWeight: 347.4783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5OS/c1-4-5-6-13-7-9-14(10-8-13)19-15(23)11-24-17-21-20-16(12(2)3)22(17)18/h7-10,12H,4-6,11,18H2,1-3H3,(H,19,23)