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

Systemtic Name: N-[3-[3-cyclopropyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-4-yl]phenyl]ethanamide Openeye Name: N-[3-[3-cyclopropyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-4-yl]phenyl]acetamide CAS Name: N-[3-[3-cyclopropyl-5-(1-phenylethylthio)-1,2,4-triazol-4-yl]phenyl]acetamide IUPAC Name: N-[3-[3-cyclopropyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-4-yl]phenyl]acetamide Traditional Name: N-[3-[3-cyclopropyl-5-(1-phenylethylthio)-1,2,4-triazol-4-yl]phenyl]acetamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC2=NN=C(N2C3=CC(=CC=C3)NC(=O)C)C4CC4

Isomeric SMILES

CC(C1=CC=CC=C1)SC2=NN=C(N2C3=CC(=CC=C3)NC(=O)C)C4CC4

InChI

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