2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]butanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]butanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]butanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-[3-cyano-4-(4-methoxyphenyl)-2-thiophenyl]butanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]butanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]butyramide Formula: C26H26N6O2S2 MolecularWeight: 518.65364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)OC)C#N)N3C(=NN=C3SCCC4=CC=CC=C4)N

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)OC)C#N)N3C(=NN=C3SCCC4=CC=CC=C4)N

InChI

InChI=1S/C26H26N6O2S2/c1-3-22(32-25(28)30-31-26(32)35-14-13-17-7-5-4-6-8-17)23(33)29-24-20(15-27)21(16-36-24)18-9-11-19(34-2)12-10-18/h4-12,16,22H,3,13-14H2,1-2H3,(H2,28,30)(H,29,33)