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

Systemtic Name: 4-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile Formula: C13H12N4S2 MolecularWeight: 288.39118

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(S1)SCC2=CC=C(C=C2)C#N

Isomeric SMILES

C=CCNC1=NN=C(S1)SCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H12N4S2/c1-2-7-15-12-16-17-13(19-12)18-9-11-5-3-10(8-14)4-6-11/h2-6H,1,7,9H2,(H,15,16)