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

Systemtic Name: 5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine Openeye Name: N-isobutyl-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[(2-methyl-3-nitrophenyl)methylthio]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(2-methyl-3-nitrophenyl)methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine Traditional Name: isobutyl-[5-[(2-methyl-3-nitro-benzyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C14H18N4O2S2 MolecularWeight: 338.44832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O2S2/c1-9(2)7-15-13-16-17-14(22-13)21-8-11-5-4-6-12(10(11)3)18(19)20/h4-6,9H,7-8H2,1-3H3,(H,15,16)