2-[4-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[5-(2-furylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[[5-(2-furanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[[5-(2-furfurylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]phenyl]benzonitrile Formula: C21H16N4OS2 MolecularWeight: 404.50794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CSC3=NN=C(S3)NCC4=CC=CO4

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CSC3=NN=C(S3)NCC4=CC=CO4

InChI

InChI=1S/C21H16N4OS2/c22-12-17-4-1-2-6-19(17)16-9-7-15(8-10-16)14-27-21-25-24-20(28-21)23-13-18-5-3-11-26-18/h1-11H,13-14H2,(H,23,24)