5-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine Openeye Name: N-benzyl-5-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[(4,5-dimethoxy-2-methylphenyl)methylthio]-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine IUPAC Name: N-benzyl-5-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: benzyl-[5-[(4,5-dimethoxy-2-methyl-benzyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C19H21N3O2S2 MolecularWeight: 387.51894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSC2=NN=C(S2)NCC3=CC=CC=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSC2=NN=C(S2)NCC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C19H21N3O2S2/c1-13-9-16(23-2)17(24-3)10-15(13)12-25-19-22-21-18(26-19)20-11-14-7-5-4-6-8-14/h4-10H,11-12H2,1-3H3,(H,20,21)