N-[(4-nitrobenzotriazol-1-yl)methyl]-5-propyl-1,3,4-thiadiazol-2-amine

Systemtic Name: N-[(4-nitrobenzotriazol-1-yl)methyl]-5-propyl-1,3,4-thiadiazol-2-amine Openeye Name: N-[(4-nitrobenzotriazol-1-yl)methyl]-5-propyl-1,3,4-thiadiazol-2-amine CAS Name: N-[(4-nitro-1-benzotriazolyl)methyl]-5-propyl-1,3,4-thiadiazol-2-amine IUPAC Name: N-[(4-nitrobenzotriazol-1-yl)methyl]-5-propyl-1,3,4-thiadiazol-2-amine Traditional Name: (4-nitrobenzotriazol-1-yl)methyl-(5-propyl-1,3,4-thiadiazol-2-yl)amine Formula: C12H13N7O2S MolecularWeight: 319.34232

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(S1)NCN2C3=C(C(=CC=C3)[N+](=O)[O-])N=N2

Isomeric SMILES

CCCC1=NN=C(S1)NCN2C3=C(C(=CC=C3)[N+](=O)[O-])N=N2

InChI

InChI=1S/C12H13N7O2S/c1-2-4-10-14-16-12(22-10)13-7-18-8-5-3-6-9(19(20)21)11(8)15-17-18/h3,5-6H,2,4,7H2,1H3,(H,13,16)