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

Systemtic Name: 4-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile Formula: C18H16N4S2 MolecularWeight: 352.47644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NN=C(S2)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NN=C(S2)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H16N4S2/c19-12-15-6-8-16(9-7-15)13-23-18-22-21-17(24-18)20-11-10-14-4-2-1-3-5-14/h1-9H,10-11,13H2,(H,20,21)