4-bromanyl-6-[5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 4-bromanyl-6-[5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-bromo-6-[5-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 4-bromo-6-[5-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-1,2-dihydro-1,2,4-triazol-3-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-bromo-6-[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-bromo-6-[5-[(2-keto-2-pyrrolidino-ethyl)thio]-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C14H15BrN4O2S MolecularWeight: 383.2635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NC(=C3C=C(C=CC3=O)Br)NN2

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NC(=C3C=C(C=CC3=O)Br)NN2

InChI

InChI=1S/C14H15BrN4O2S/c15-9-3-4-11(20)10(7-9)13-16-14(18-17-13)22-8-12(21)19-5-1-2-6-19/h3-4,7,17H,1-2,5-6,8H2,(H,16,18)