N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanamide

Systemtic Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanamide Openeye Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide CAS Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[(6-oxo-1H-pyrimidin-2-yl)thio]butanamide IUPAC Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide Traditional Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[(6-keto-1H-pyrimidin-2-yl)thio]butyramide Formula: C16H14BrN5O2S2 MolecularWeight: 452.34866

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NN=C(S1)C2=CC=C(C=C2)Br)SC3=NC=CC(=O)N3

Isomeric SMILES

CCC(C(=O)NC1=NN=C(S1)C2=CC=C(C=C2)Br)SC3=NC=CC(=O)N3

InChI

InChI=1S/C16H14BrN5O2S2/c1-2-11(25-15-18-8-7-12(23)19-15)13(24)20-16-22-21-14(26-16)9-3-5-10(17)6-4-9/h3-8,11H,2H2,1H3,(H,18,19,23)(H,20,22,24)