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

Systemtic Name: 3-methyl-5-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 3-methyl-5-[[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-5-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C18H20N6S2 MolecularWeight: 384.5216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NN=C(S2)NCC(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NN=C(S2)NCC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C18H20N6S2/c1-12(2)10-20-17-21-22-18(26-17)25-11-16-15(9-19)13(3)23-24(16)14-7-5-4-6-8-14/h4-8,12H,10-11H2,1-3H3,(H,20,21)