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

Systemtic Name: 2-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile Formula: C15H18N4OS2 MolecularWeight: 334.45962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=NN=C(S1)SCC2=CC=CC=C2C#N

Isomeric SMILES

CCOCCCNC1=NN=C(S1)SCC2=CC=CC=C2C#N

InChI

InChI=1S/C15H18N4OS2/c1-2-20-9-5-8-17-14-18-19-15(22-14)21-11-13-7-4-3-6-12(13)10-16/h3-4,6-7H,2,5,8-9,11H2,1H3,(H,17,18)