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

Systemtic Name: N-[3-[3-(cyclohexylmethylsulfanyl)-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]ethanamide Openeye Name: N-[3-[3-(cyclohexylmethylsulfanyl)-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]acetamide CAS Name: N-[3-[3-(cyclohexylmethylthio)-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]acetamide IUPAC Name: N-[3-[3-(cyclohexylmethylsulfanyl)-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]acetamide Traditional Name: N-[3-[3-(cyclohexylmethylthio)-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]acetamide Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCC3CCCCC3)C4CC4

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCC3CCCCC3)C4CC4

InChI

InChI=1S/C20H26N4OS/c1-14(25)21-17-8-5-9-18(12-17)24-19(16-10-11-16)22-23-20(24)26-13-15-6-3-2-4-7-15/h5,8-9,12,15-16H,2-4,6-7,10-11,13H2,1H3,(H,21,25)