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

Systemtic Name: 3-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-(isopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[5-(isopropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile Formula: C13H14N4S2 MolecularWeight: 290.40706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NN=C(S1)SCC2=CC=CC(=C2)C#N

Isomeric SMILES

CC(C)NC1=NN=C(S1)SCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C13H14N4S2/c1-9(2)15-12-16-17-13(19-12)18-8-11-5-3-4-10(6-11)7-14/h3-6,9H,8H2,1-2H3,(H,15,16)