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

Systemtic Name: [4-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]-3-bromanyl-phenyl] thiocyanate Openeye Name: [4-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-3-bromo-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-oxoethyl]amino]-3-bromophenyl] ester IUPAC Name: [4-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-3-bromophenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]-3-bromo-phenyl] ester Formula: C11H8BrN5OS3 MolecularWeight: 402.31312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SC#N)Br)NC(=O)CSC2=NN=C(S2)N

Isomeric SMILES

C1=CC(=C(C=C1SC#N)Br)NC(=O)CSC2=NN=C(S2)N

InChI

InChI=1S/C11H8BrN5OS3/c12-7-3-6(20-5-13)1-2-8(7)15-9(18)4-19-11-17-16-10(14)21-11/h1-3H,4H2,(H2,14,16)(H,15,18)