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

Systemtic Name: N-(3-methoxyphenyl)-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Openeye Name: N-(3-methoxyphenyl)-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: N-(3-methoxyphenyl)-5-[(2-methyl-3-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(3-methoxyphenyl)-5-[(2-methyl-3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: (3-methoxyphenyl)-[5-[(2-methyl-3-nitro-benzyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C17H16N4O3S2 MolecularWeight: 388.46394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(S2)NC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(S2)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C17H16N4O3S2/c1-11-12(5-3-8-15(11)21(22)23)10-25-17-20-19-16(26-17)18-13-6-4-7-14(9-13)24-2/h3-9H,10H2,1-2H3,(H,18,19)