3-[(3-methoxyphenoxy)methyl]-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-[(3-methoxyphenoxy)methyl]-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(3-methoxyphenoxy)methyl]-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[(3-methoxyphenoxy)methyl]-5-[(2-methyl-3-nitrophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[(3-methoxyphenoxy)methyl]-5-[(2-methyl-3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(3-methoxyphenoxy)methyl]-5-[(2-methyl-3-nitro-benzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2N)COC3=CC=CC(=C3)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2N)COC3=CC=CC(=C3)OC

InChI

InChI=1S/C18H19N5O4S/c1-12-13(5-3-8-16(12)23(24)25)11-28-18-21-20-17(22(18)19)10-27-15-7-4-6-14(9-15)26-2/h3-9H,10-11,19H2,1-2H3