2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitro-benzonitrile CAS Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]-5-nitrobenzonitrile IUPAC Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitrobenzonitrile Traditional Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]-5-nitro-benzonitrile Formula: C13H13N5O2S2 MolecularWeight: 335.40462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CCCCNC1=NN=C(S1)SC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H13N5O2S2/c1-2-3-6-15-12-16-17-13(22-12)21-11-5-4-10(18(19)20)7-9(11)8-14/h4-5,7H,2-3,6H2,1H3,(H,15,16)