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

Systemtic Name: 3-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile Formula: C14H16N4S2 MolecularWeight: 304.43364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NN=C(S1)SCC2=CC=CC(=C2)C#N

Isomeric SMILES

CC(C)CNC1=NN=C(S1)SCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C14H16N4S2/c1-10(2)8-16-13-17-18-14(20-13)19-9-12-5-3-4-11(6-12)7-15/h3-6,10H,8-9H2,1-2H3,(H,16,17)