4-[3-[5-ethylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine

Systemtic Name: 4-[3-[5-ethylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Openeye Name: 4-[3-(4-benzyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine CAS Name: 4-[3-[5-(ethylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-(4-benzyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine Traditional Name: 4-[3-[4-benzyl-5-(ethylthio)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Formula: C21H24N4O3S2 MolecularWeight: 444.57026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1CC2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCSC1=NN=C(N1CC2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H24N4O3S2/c1-2-29-21-23-22-20(25(21)16-17-7-4-3-5-8-17)18-9-6-10-19(15-18)30(26,27)24-11-13-28-14-12-24/h3-10,15H,2,11-14,16H2,1H3