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

Systemtic Name: 2-[(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile IUPAC Name: 2-[(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile Formula: C18H13N3OS3 MolecularWeight: 383.51032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)SCC3=CC=CC=C3C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)SCC3=CC=CC=C3C#N

InChI

InChI=1S/C18H13N3OS3/c19-10-14-8-4-5-9-15(14)11-23-17-20-21-18(25-17)24-12-16(22)13-6-2-1-3-7-13/h1-9H,11-12H2