3-[3-[(2-cyanophenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[(2-cyanophenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[(2-cyanophenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[(2-cyanophenyl)methylthio]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[(2-cyanophenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[(2-cyanobenzyl)thio]-5-cyclopropyl-1,2,4-triazol-4-yl]propionamide Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CCC(=O)N)SCC3=CC=CC=C3C#N

Isomeric SMILES

C1CC1C2=NN=C(N2CCC(=O)N)SCC3=CC=CC=C3C#N

InChI

InChI=1S/C16H17N5OS/c17-9-12-3-1-2-4-13(12)10-23-16-20-19-15(11-5-6-11)21(16)8-7-14(18)22/h1-4,11H,5-8,10H2,(H2,18,22)