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

Systemtic Name: 2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(cyanomethyl)phenyl]ethanamide Openeye Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide CAS Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-[4-(cyanomethyl)phenyl]acetamide IUPAC Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide Traditional Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-[4-(cyanomethyl)phenyl]acetamide Formula: C16H14N6OS2 MolecularWeight: 370.45196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1=CSC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C16H14N6OS2/c17-8-7-11-3-5-12(6-4-11)19-14(23)10-25-16-21-20-15(22(16)18)13-2-1-9-24-13/h1-6,9H,7,10,18H2,(H,19,23)