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

Systemtic Name: 2-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitro-benzonitrile CAS Name: 2-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]thio]-5-nitrobenzonitrile IUPAC Name: 2-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitrobenzonitrile Traditional Name: 2-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]thio]-5-nitro-benzonitrile Formula: C14H15N5O3S2 MolecularWeight: 365.4306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=NN=C(S1)SC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CCOCCCNC1=NN=C(S1)SC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C14H15N5O3S2/c1-2-22-7-3-6-16-13-17-18-14(24-13)23-12-5-4-11(19(20)21)8-10(12)9-15/h4-5,8H,2-3,6-7H2,1H3,(H,16,17)