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

Systemtic Name: 4-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile Formula: C14H16N4S2 MolecularWeight: 304.43364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SCC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCNC1=NN=C(S1)SCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H16N4S2/c1-2-3-8-16-13-17-18-14(20-13)19-10-12-6-4-11(9-15)5-7-12/h4-7H,2-3,8,10H2,1H3,(H,16,17)