[4-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]phenyl] thiocyanate

Systemtic Name: [4-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]phenyl] thiocyanate Openeye Name: [4-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-oxoethyl]amino]phenyl] ester IUPAC Name: [4-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]phenyl] ester Formula: C11H9N5OS3 MolecularWeight: 323.41706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSC2=NN=C(S2)N)SC#N

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSC2=NN=C(S2)N)SC#N

InChI

InChI=1S/C11H9N5OS3/c12-6-19-8-3-1-7(2-4-8)14-9(17)5-18-11-16-15-10(13)20-11/h1-4H,5H2,(H2,13,15)(H,14,17)