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

Systemtic Name: 2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[5-(p-anisylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile Formula: C18H16N4OS2 MolecularWeight: 368.47584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NN=C(S2)SCC3=CC=CC=C3C#N

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NN=C(S2)SCC3=CC=CC=C3C#N

InChI

InChI=1S/C18H16N4OS2/c1-23-16-8-6-13(7-9-16)11-20-17-21-22-18(25-17)24-12-15-5-3-2-4-14(15)10-19/h2-9H,11-12H2,1H3,(H,20,21)