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

Systemtic Name: 3-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile Formula: C16H18N4S2 MolecularWeight: 330.47092

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NN=C(S2)SCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CCC(CC1)NC2=NN=C(S2)SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H18N4S2/c17-10-12-5-4-6-13(9-12)11-21-16-20-19-15(22-16)18-14-7-2-1-3-8-14/h4-6,9,14H,1-3,7-8,11H2,(H,18,19)