N-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[1-[5-benzylsulfanyl-4-(5-chloro-2-methyl-phenyl)-1,2,4-triazol-3-yl]ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[1-[4-(5-chloro-2-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[1-[5-benzylsulfanyl-4-(5-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[1-[5-(benzylthio)-4-(5-chloro-2-methyl-phenyl)-1,2,4-triazol-3-yl]ethyl]-piperonylamide Formula: C26H23ClN4O3S MolecularWeight: 507.00382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C(=NN=C2SCC3=CC=CC=C3)C(C)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C(=NN=C2SCC3=CC=CC=C3)C(C)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H23ClN4O3S/c1-16-8-10-20(27)13-21(16)31-24(29-30-26(31)35-14-18-6-4-3-5-7-18)17(2)28-25(32)19-9-11-22-23(12-19)34-15-33-22/h3-13,17H,14-15H2,1-2H3,(H,28,32)