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

Systemtic Name: N-[(4-methoxyphenyl)methyl]-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Openeye Name: N-[(4-methoxyphenyl)methyl]-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: N-[(4-methoxyphenyl)methyl]-5-[(2-methyl-3-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-[(4-methoxyphenyl)methyl]-5-[(2-methyl-3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(2-methyl-3-nitro-benzyl)thio]-1,3,4-thiadiazol-2-yl]-p-anisyl-amine Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(S2)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(S2)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C18H18N4O3S2/c1-12-14(4-3-5-16(12)22(23)24)11-26-18-21-20-17(27-18)19-10-13-6-8-15(25-2)9-7-13/h3-9H,10-11H2,1-2H3,(H,19,20)