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

Systemtic Name: 2-[[4-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanothiophen-2-yl)ethanamide Openeye Name: 2-[(4-amino-5-benzylsulfanyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyano-2-thienyl)acetamide CAS Name: 2-[[4-amino-5-(phenylmethylthio)-1,2,4-triazol-3-yl]thio]-N-(3-cyano-2-thiophenyl)acetamide IUPAC Name: 2-[(4-amino-5-benzylsulfanyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyanothiophen-2-yl)acetamide Traditional Name: 2-[[4-amino-5-(benzylthio)-1,2,4-triazol-3-yl]thio]-N-(3-cyano-2-thienyl)acetamide Formula: C16H14N6OS3 MolecularWeight: 402.51696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(N2N)SCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(N2N)SCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C16H14N6OS3/c17-8-12-6-7-24-14(12)19-13(23)10-26-16-21-20-15(22(16)18)25-9-11-4-2-1-3-5-11/h1-7H,9-10,18H2,(H,19,23)