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

Systemtic Name: N-[3-[3-cyclopropyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]ethanamide Openeye Name: N-[3-[3-cyclopropyl-5-(p-tolylmethylsulfanyl)-1,2,4-triazol-4-yl]phenyl]acetamide CAS Name: N-[3-[3-cyclopropyl-5-[(4-methylphenyl)methylthio]-1,2,4-triazol-4-yl]phenyl]acetamide IUPAC Name: N-[3-[3-cyclopropyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]acetamide Traditional Name: N-[3-[3-cyclopropyl-5-[(4-methylbenzyl)thio]-1,2,4-triazol-4-yl]phenyl]acetamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(N2C3=CC(=CC=C3)NC(=O)C)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2C3=CC(=CC=C3)NC(=O)C)C4CC4

InChI

InChI=1S/C21H22N4OS/c1-14-6-8-16(9-7-14)13-27-21-24-23-20(17-10-11-17)25(21)19-5-3-4-18(12-19)22-15(2)26/h3-9,12,17H,10-11,13H2,1-2H3,(H,22,26)