4-[[5-[(4-phenoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butanenitrile

Systemtic Name: 4-[[5-[(4-phenoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]thio]butanenitrile IUPAC Name: 4-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]thio]butyronitrile Formula: C18H16N4OS2 MolecularWeight: 368.47584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NN=C(S3)SCCCC#N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NN=C(S3)SCCCC#N

InChI

InChI=1S/C18H16N4OS2/c19-12-4-5-13-24-18-22-21-17(25-18)20-14-8-10-16(11-9-14)23-15-6-2-1-3-7-15/h1-3,6-11H,4-5,13H2,(H,20,21)