3-[5-(4-phenylmethoxyphenyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]propanenitrile

Systemtic Name: 3-[5-(4-phenylmethoxyphenyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]propanenitrile Openeye Name: 3-[5-(4-benzyloxyphenyl)-2-thioxo-1,3,4-thiadiazol-3-yl]propanenitrile CAS Name: 3-[5-(4-phenylmethoxyphenyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]propanenitrile IUPAC Name: 3-[5-(4-phenylmethoxyphenyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]propanenitrile Traditional Name: 3-[5-(4-benzoxyphenyl)-2-thioxo-1,3,4-thiadiazol-3-yl]propionitrile Formula: C18H15N3OS2 MolecularWeight: 353.4612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN(C(=S)S3)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN(C(=S)S3)CCC#N

InChI

InChI=1S/C18H15N3OS2/c19-11-4-12-21-18(23)24-17(20-21)15-7-9-16(10-8-15)22-13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2