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

Systemtic Name: 4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(propylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(propylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile Formula: C13H14N4S2 MolecularWeight: 290.40706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NN=C(S1)SCC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCNC1=NN=C(S1)SCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H14N4S2/c1-2-7-15-12-16-17-13(19-12)18-9-11-5-3-10(8-14)4-6-11/h3-6H,2,7,9H2,1H3,(H,15,16)