5-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-[[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]thio]methyl]-3-methyl-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-methyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 3-methyl-5-[[[5-(p-anisylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C22H20N6OS2 MolecularWeight: 448.5638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NN=C(S2)NCC3=CC=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NN=C(S2)NCC3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C22H20N6OS2/c1-15-19(12-23)20(28(27-15)17-6-4-3-5-7-17)14-30-22-26-25-21(31-22)24-13-16-8-10-18(29-2)11-9-16/h3-11H,13-14H2,1-2H3,(H,24,25)