3-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile

Systemtic Name: 3-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile Openeye Name: 3-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile CAS Name: 3-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]thio]propanenitrile IUPAC Name: 3-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile Traditional Name: 3-[[5-(p-anisylamino)-1,3,4-thiadiazol-2-yl]thio]propionitrile Formula: C13H14N4OS2 MolecularWeight: 306.40646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NN=C(S2)SCCC#N

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NN=C(S2)SCCC#N

InChI

InChI=1S/C13H14N4OS2/c1-18-11-5-3-10(4-6-11)9-15-12-16-17-13(20-12)19-8-2-7-14/h3-6H,2,8-9H2,1H3,(H,15,16)