3-[2-cyanoethyl-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]propanenitrile

Systemtic Name: 3-[2-cyanoethyl-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]propanenitrile Openeye Name: 3-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-(2-cyanoethyl)amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]amino]propanenitrile IUPAC Name: 3-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-(2-cyanoethyl)amino]propanenitrile Traditional Name: 3-[[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-(2-cyanoethyl)amino]propionitrile Formula: C15H15N5S2 MolecularWeight: 329.4431

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(S2)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(S2)N(CCC#N)CCC#N

InChI

InChI=1S/C15H15N5S2/c16-8-4-10-20(11-5-9-17)14-18-19-15(22-14)21-12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,10-12H2