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

Systemtic Name: N-[3-[3-[(4-cyanophenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]ethanamide Openeye Name: N-[3-[3-[(4-cyanophenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]acetamide CAS Name: N-[3-[3-[(4-cyanophenyl)methylthio]-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]acetamide IUPAC Name: N-[3-[3-[(4-cyanophenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]acetamide Traditional Name: N-[3-[3-[(4-cyanobenzyl)thio]-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]acetamide Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4CC4

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4CC4

InChI

InChI=1S/C21H19N5OS/c1-14(27)23-18-3-2-4-19(11-18)26-20(17-9-10-17)24-25-21(26)28-13-16-7-5-15(12-22)6-8-16/h2-8,11,17H,9-10,13H2,1H3,(H,23,27)