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

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]propanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]propanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-[3-cyano-4-(4-methoxyphenyl)-2-thiophenyl]propanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]propanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]propionamide Formula: C25H24N6O2S2 MolecularWeight: 504.62706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N6O2S2/c1-16(31-24(27)29-30-25(31)34-13-12-17-6-4-3-5-7-17)22(32)28-23-20(14-26)21(15-35-23)18-8-10-19(33-2)11-9-18/h3-11,15-16H,12-13H2,1-2H3,(H2,27,29)(H,28,32)